NMR  Spectroscopy:  A  Short  Course  

Example  Problem  from  Textbook:  

'e8u?qr PIno^\,(ue ;o senlel eltg 6releuo.llceds

e ur rurulceds eqt ur e8wqc plno^\ tsrll6 'q'seqrsuelul

perroo qlr.r elucs .{cuenber; pepuedxe uu uoerp

^\oqs'1e1dr11nru qcee rod'1e1dr11nru

uoprsod eq1 Surrrroqs '211 ur ,(cuenber; 'saaql € lold 'pesn sr releuorlceds zHI tr-009 V

ur ua.tr8 eru erlceds g141g uolord JreqI 'eu?lnqoJolqc-Zpuu euelnqoJolqc-I eJB If,6HtJ Jo sreuosr elqrssod o.'rr1

0Z'0+

99'r+

g - I1rsue1u1olHzf, (E)

'Je1e,r\ o] eAB?leJ urdd ur ue.tr8 eJ? sgqsI?crueq] 'saufl uI{N l{rltl^\ qlI1Y\ o3 suolord qclq.& e1?u

-8rseq 'mo1eq spunodruoc o,tl1 eql Jo ernlcruls eq1 ecnpeq'€cJozHJs(c

ro.I urrulceds ecueuoseJ crleuEeur uolord eql qcle{S 'p(,reletuorlceds ZHW-OZZ u ur Surggds urds-urds

eql eq IIr/ teq6[ e(O uolord;o 3uq111ds urds-urds eqlsr teq,^e 'zH g sl (u) uolord go 3urg11ds urds-utds eqt g 'r

lreleuro4ceds z11W- OZZ e

ur uorlerudes eql eq IIIA\ 13q,tr'Uqs Pclrueqt e 01 enp sr

pue zH 002 sl E1 puu 11 seuq ueealeq uollurudes eql JI 'q'(c) ro '(q) '(u) suotord 01 seull xls eql Jo qces u8rssy 'u

sIelzt

:urnrceds Surinolo; eql e,rr8 ol Jeleru-orlceds zHhtr-ggl B uI pernsueru s?,tt reqle 1,(qe 1,(qeupe]?Jelnep ,(1e.tr1ce1es Jo erueuoseJ cpeuEeul uolord eq1 'g

ezHI I 009 pue zHW 000Ile Suqeredo sreleuror1ceds roJ zH uI uorluredes leql sr

1eq,r 'urdd rc'6 ,(q peleredes ere sleuSrs uolord o,rl;1 'c'zHI I 00S 's^ 0001 le lueruuedxe ue Surturoped

JoJ opBJ asrou ol pu8rs eql q lueueloJdurt eql elurutlsg 'qazHW 000I ;o .(cuenber;

614151 uolord u e,r.r8 p1no.,r,r qfue.qs plelJ clleu8eru 1er1\\ 'u'(urdsorg re>1ug) pe^elqce,(1luecer

,(1uo sur'r lueurutsur U1IN zHI I 000I Iertreluu$ Y 'Zvzfglpueogl

.tro slrun eql eulfiJelep o1 sls,{1euu IBuoISueIurp ? tuJoFed 'I

's

00'8-

8'E

.: I'f .

0'n,,:,::'1:,91''

9'Z.:::::',,-:,.42

0'9

,,sH

,gH,IH,EH

,,zH

,ZH.,IH

'n

pue .zH r "*.a,nruaoJ;ilfl":ii1iltffi? urds-urds puoq-oal II? elunssY 'sreleuured

aD qll^\ uollnlos ozo q eprsoelcnu,(xoep B Joer1l Jo rurutceds UWN uotord eqt qcte{S

'euBqleruorolqcl,(qteurut :lJ6H',JIrarpoue roJ urrutceds UII{N uotord el{l qre{S 'q

's1eed gytr11 rleql 01 suolord eql u8rsseqcII^\ qlyrr seo8 urulceds qclqa eprceq 'u

(udd)g

(e) l' (t) k)(ruddto

t z "e ,

(z-)(e)

(e)

's1eed eqt eloq? seseqluerud ur erueaEBIer eq1 'euels1,(qleru3Jtq o1 e.tr1e1er urdd

ptoHtl'9

fof(t

( r.)

iuJiqo16

'8tw-Ltw:L|togwlE-uo IBmlrnDS'3661'rq1ft

'iv-gE:zz'say u4urelord roy enbruqcel'crleu8ey4l rBeIcnN Jo IIE

'r0!'uorlnlos ur serlquassva8rel ;o,(docsorlceds y6

'sser4,fto1eroqe"I JoqJEE3uud5 p1o3'o8euulq-8re'uolpund puo ilru)nrlsvil-ose11 cr1eu8e141 rEeIcnN '8

nuaps 's,(e.nrqted reqg t

eq;-'ZIOZ'8ues; '1 '1-,'rABzBuoIAI 'g'pO 'C'A' 6BZE-{BZ6 OE {t 1 snuaq4

rrE Jo emlcn4s '166I :f '.Z6T

plerg luepuedep-erull E Jo r-eJnseeru uorsn;;rp urdg i

'ltDN ')otd 'uorlcung qtdSur8erul ecueuoseg cqedpuu 'u€ruqlog '-I 'C 1

'lrs 'sIIeJ 8ur,r.r1 .;o fdo'zner-88€,11

cr1eu8e141 :eeycn51 4,, IqJo es?J u Jo uorlsurusr'Irlsg'hI'ra>Icou'D'usI

'gtg-onyEte aeqt roJ .(docsorlcedg 1gr

'rLtzt-gg,Zr :?6 VSIur selncaloruorceru pcd

'spDV )DpnN puo su!"y,

aAWN p)u)Dr4 :t3o1og,

'ssord crrrepscv:-I{1'9tZ'lo L'tdocsoncadg t

aqJ 'tqcerprog :re8updlo slotuauopunt '9OOZ t,

'sser4,(1rsre,r.ru|I proJxo ;

Su8outl a cuouos ay 4tatl

δ ≈ 9-10 ppm; q"

δ ≈ 2 ppm; d"

δ ≈ 2 ppm; s"

δ ≈ 5-6 ppm; s"

NMR  Spectroscopy:  A  Short  Course  

Example  Problem  from  Textbook:  

'ureldxg esJeruosr su04 pue.f?, eql ueealoq uorsJe^uoc-relurJo elBJ eql lnoqe IBS no,{ uBc 1eq,4a 'slep eseq] Iuou

'ees 01 lcedxo plnoa no,{ l3q,4a puE lueurrJedxe eqluI?IdxA 'sL]"tto! suDtt puB .r?, erll Jo seru€uoseJ eql qsrna-uqsrp ol asn plno,& no.( luarurJedxe uwN luq,^e ur€ldxE

')"szwep4ded eql Jo sruroJ suou pae.rrr eql uee.^^teq ,(8reueeeJJ pr€pu?]s uI ecueJeJJrp erD elellIr}se o1 31up eql eso

ZH]^tr OO' HI08 z8 t'8 9'8

H.'N/

II

I

sua,LlHH

'sprrE ourruu JeqloJoJ ueql ,(8reue ur pnbe ,(1:eeu erou ere puoq eprlded eql JosuJtoJ suotl puu .rp eql l?ql ur sprce ounue Suorue pnsnunsr eullord : ord : d '1y\oleq u.{\oqs aru pn dsy ell ord.rrJ: ACIdI epqded (sdnorS HN eelll Surureluoc) prre ourree^u e Jo J.;zN rrrnlceds uI trN eql ur secueuoser HN eqJ .il

'Urqs Iucrureqr 8ur$ercep Jo repro ur 1,(q1eru g pue '1,(qteurL 'LH'LH 'dH 'DH sE ua{ul eq uec sg:rr{s Ierrureqr Jo reproeq1 '(dnor3 I.(qteru e uo suotord eerqt eqt ldecxe) grqsprruer{c luereJJrp ,(lqurnseeru e seq uolord qcBe leqlSurunsse 'eurJnelosr ro; rurulceds ISOJ erp qcte{S .q

'pe^loser tou aru sl,(qleur g o^u eql tuql puepelloseJ tou eJB suoloJd g/ o,16 eq1 luqt Sulunss? 'eurrnelro; urelled ISOJ eql s.troqs (q)91'7y ern8rg 'grqsFcrrueqr Sursuercep Jo JepJo ur ,1,(q1eur g pue '1,(qteute'tu'{u'dH'"H se ue{B} eq uec surqs Ie3rureqc Joropro eqJ '(dnor8 1,(qteu e uo suolord eerql eqt ldecxe)Urr{s pcrueq, tuereJJlp .(yqernsueru u seq uolord qceeturp Sururnsse 'eurcnel ro; rurulceds ISOJ erlt qcleIs .B

'lueruuedxe ISOJ u ur s>1ued ssorc;o surellud crlsrrelcuJer1c e,rr8 ,(eql'uretord e olur pelerod-.rocu1 'uolord o11 euo sug osle esJnoJ Jo prce ourrrru qcuA'1dq1eru g E pue '1(qteu zL u 'suotord'H o^t 'uotord dp1

euo seq eurcnelosr Jo uruqc eprs eqI 's1,(qleur g o,^A1 pue'uolord r11 euo 'suolo.rd dH o^1 seq eurcnel Jo ureqc eprseq1 'xrpuedde eql ur ue,tr3 eJu seJnlcn4s lreql :reqlo qceeJO SJATUOST eJB luq] SprCB OUTTUB eJe euronelosr pue eurcne.I

'sgoN peJnseeu eql Jo srurelur re,l.rsrre rno,( ureldxg eleeqs-6| lelpredque ro '1eeqs-6/ 1e1-prud'xr1eq-lr lI sI leprrded ogt Jo ernlcruts eql sr tBqA\

'aurcnel eql 01 AON ue suq uolord "11 eurs,(1qJse 'ecu?lsur ro; i,(elle senprseJ ee;qt uolord eprrru ueo1 ,{1rsue1ur oluroporu Jo gON ue seq uolord "H qrng'$

'uolo;d epruru euruBIB ue ol gON u?seq uolo;d n eurs,(1 qJ€e 'acuulsur Jo; iuolo;d eprure lxeueql ol .(lrsuelul e]€Jepou Jo AON ue seq uolord "H qrrg 'g

'uolord (N11) oprue euruEIE ue o1 gg51 3uor1se suq (Ng) epnue eursdl rlcee'acuelsur ro; iuolord eprurutxeu eq] ot AON esuetur fuel e suq uolord eprue qceg 'l

:pe^Jesqo eJesgg51 Sur.LrolyoJ eql '(eurcnel sr T 'eurusle sr y 'eurs.(1sl )) )vlY\.)IYTV\a)Ylwx :eprtdedo8rlo IopourIIEUs egl 8ur,{pn1s u1 ('uolord e eql uroq ,(u,,ru sanprsereerql uolord eprur? uu ol sreJer 6 1 r lducsqns eql)

r+1'NH _ DH

NH*"HNH_NH

.J

'q

HH

.ZI

uddv'L zt 0't BO

.0L

.99

.09"91.09"9V

E<

LV

s<LL

e'n

n't9E8'Z

'urlceds asetp ol esu e.tr8 ol Surunccoeq ,(eu luqm ureldxe 'srurel lereue8 u1 'e:nluredruel Jo uon-runJ e se u,roqs sr (CCCCVIVfCJCJ)p rauo8rlo ypqe ut (1 uo) dnor8 1.(qteru e18urs e urorg urrulceds UI N eqI

'ureldxg ipeqsrnS-uDsrp eq IIqs sprce oufirr? o.rJ eql u?c 'pe^Ioser ]oueJe eurcnelosr ;o suolord L o,r1 eql pue 'eurcnal Josldqteur g o^\t eqt 'eurcnel Jo suolord gl o,u1 eq1;1 'eurc-nelosr pue eurcnel uee.llteq qsrn8urlsrp o1 nof molpslued ssorc ;o surelled luereJJrp eql .^aor{ eqrrJseq .J

149 | sLualqor6

:s.4AoIIoJ se pezrJerrrurns eru sleaqs-gl prru secrleq-i,ul (NH) uolord epruu eql pue ("11) uoq;ec l: erll uouolord eq1 roJ (y u, secuelsrp uolord-uolord pcrd,(1 'c

'e.trlelrluunb eg'errucru]sJelnceloru uo spuedep gON peJnsueur eql .ry\oq eqrJcse('eJnlcruls rclnrelotu eururrelep 01 pesn eJe sgoN 'q

',(llelueurrredxe peJnseeu sI gON uE ,,lroq aqrrcsaq 'B'sure11ed gON tuereJJrp

,(lpcrlsuelcereqc e^eg (sleeqs-6/'seclleq-D) sernlJruls 1ue-reJJrp asnuceq ernlcruls urelord ele8rlselur o1 enbruqcellnpe,Lrod ,(re,L u sr (gON) tceJJe Jesn?qrelo ruelcnu aqJ

'0r

.II

"sz ----------i.-Y- "02.91

c"0L Wemmer et al., Nucleic Acids Res. !(1985) 10, 3755"

NMR  Spectroscopy:  A  Short  Course  

Example  Problem  from  Textbook:  0t

(rudd) gy0z 9'z00

(d

olCE3

ieldruusI^lur €'0 aql q]r.^d dl\IS tuep^rnbe q1r.tr les etep cz eql ul?lqo01 pepeeu aq ppo^a erur1 qcnru .roq 'eldruus I Jur 6'0 eq]qtl^\ srq g perrnber tueruuedxe UI,I{N-CZ B JI 6I lru 6'0 teuretord e Jo rrecs euo lsnlgo UNS eql pnbe o1 reqtSot ppepuB e{el o1 peeu no,( plnorrr unDceds 51151 ua.Lr8 u 3o suuss,(ueur rrro11 'hlur €'0 uorleruef,uoc 1e urelord e ea.eq no,(esoddn5'uucs euo ueqt repeq serurt t'I- UNS ue plerf o1peppe eq uec srreJs oA\1 snqJ 'srrsrs Jo Jeqrunu eql Jo ]ooJerenbs eql se sppe esrou elrq^\ ,(pueul sppe leu8rs eq] tnq'peppe erB urtceds o.ul ueq.^a ppe rllog esrou pue 1uu8rs eqg'(gpg) orer esrou-o11eu8rs eq1 e,tordur o1 req1e3o1 suecseleredes ppe o1 .(111rqu eql sr UI IN 3ro lcedse luegodrur uy

g4g I stualqor6

'sgqs pcrueqc uotord ot rullruls spuer l'rolloJ ueuo sgqs1urrtueqc uoqJec lsql eloN 'u.laoqs sleed 1e ro; sluauru8rsse,(1e19 esodor4 '(mpa'cuu'qtutq'umu,11:duq 'gdl Ig '{ueqeorr?uoser crleu8eru pcrSolorq eql ur ue,,rr8 slsl leed uorgpeldupe) eurcnel-'I roJ 1r\oleq u.^Aoqs sr JOSH H1-Jg1 e\t 'lZ

;eqnd 169 y e s.(oldrue ',rr dels ;r eruoclno eql sr 1eI1\\rrr ur s€ uoqeJnp etues eql Jo ,{e1ep y 'a

eslnd x08I y ',1,!

8urlelor eql ur ogt,(q sessecerd htr qclqa 3uunp.(u1ep y't11espd x66 y '11

runuqrlrnbe tE htr 'IeuBJ.I uorleloJ eql ur sdels ;o ecuenbes 8ur,Lro11o; eql ul W

;o uorlrsod eql qote{S eesur srql ur ,reeddeslp, 1111s 0g seoq'sercuenber; o.r,r1 eql Jo ecuereJJrp eql le eruer; 3ur1e1or eq1 urssecard pm 141 ueql 'fcuenber; uorssecerd routrc.1 eql gcletu.(pce1;ed lou seop aurerg Suqelor eq] go .(cuenbeg erp JI '02 LL

a

IT

JF

Leu!8.22" 1.52"

1.62"

0.76"

0.73"

1.51"4.30"121.79"

55.70"177.06"

42.26"24.70"

26.78"

24.06"

α

β

γ δ1/δ2!