rcs-8 - swgdrug.org · ei mass spectrum: rcs-8 lot # alb203-21 3.2 gas chromatography/mass...

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RCS-8 The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. Page 1 of 5 SWGDRUG.org/monographs.htm Latest Revision: 12/16/2013 Form Chemical Formula Molecular Weight Melting Point ( o C) Base C 25 H 29 NO 2 375 97.7 N O O CH 3 1. GENERAL INFORMATION IUPAC Name: 1-[1-(2-cyclohexylethyl)-1H-indol-3-yl]-2-(2-methoxyphenyl)ethanone CAS#: 1345970-42-4 Synonyms: 1-(2-cyclohexylethyl)-3-(2-methoxyphenylacetyl)indole; SR-18; BTM-8; 2-(2-methoxyphenyl)-1-[1-(2-cyclohexylethyl)indol-3-yl]ethanone Source: DEA Reference Material Collection Appearance: Off-white powder UV max (nm): Not Determined 2. CHEMICAL AND PHYSICAL DATA 2.1 CHEMICAL DATA

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Page 1: RCS-8 - swgdrug.org · EI Mass Spectrum: RCS-8 Lot # ALB203-21 3.2 Gas Chromatography/Mass Spectrometry Sample Preparation: Dilute analyte ~1 mg/mL in 9:1 chloroform/methanol. Instrument:

RCS-8The Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Page 1 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013

Form Chemical Formula Molecular Weight Melting Point (oC)

Base C25H29NO2 375 97.7

N

O

OCH3

1. GENERAL INFORMATION

IUPAC Name: 1-[1-(2-cyclohexylethyl)-1H-indol-3-yl]-2-(2-methoxyphenyl)ethanone

CAS#: 1345970-42-4

Synonyms: 1-(2-cyclohexylethyl)-3-(2-methoxyphenylacetyl)indole; SR-18; BTM-8; 2-(2-methoxyphenyl)-1-[1-(2-cyclohexylethyl)indol-3-yl]ethanone

Source: DEA Reference Material Collection

Appearance: Off-white powder

UVmax(nm): Not Determined

2. CHEMICAL AND PHYSICAL DATA

2.1 CHEMICAL DATA

Page 2: RCS-8 - swgdrug.org · EI Mass Spectrum: RCS-8 Lot # ALB203-21 3.2 Gas Chromatography/Mass Spectrometry Sample Preparation: Dilute analyte ~1 mg/mL in 9:1 chloroform/methanol. Instrument:

RCS-8The Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Page 2 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013

3. QUALITATIVE DATA

3.1 NUCLEAR MAGNETIC RESONANCE

Method NMR CDCl3

Sample Preparation: Dilute analyte to ~5 mg/mL inCDCl3 containing TMS for 0 ppm reference.

Instrument: 400 MHz NMR spectrometerParameters: Spectral width: at least containing -3 ppm through 13 ppm Pulse angle: 90o

Delay between pulses: 45 seconds

Chemical Shift (ppm)9 8 7 6 5 4 3 2

0

1

2

3

4

5

6

7

8

9

10

247342511

TMS

1H NMR: RCS-8 Lot # ALB203-21; CDCl3; 400MHz

Chemical Shift (ppm)

4

Chemical Shift (ppm)8.5 8.0

0

1

2

3

2511

Chemical Shift (ppm)1.75

247

CHCl3

CHCl3

Page 3: RCS-8 - swgdrug.org · EI Mass Spectrum: RCS-8 Lot # ALB203-21 3.2 Gas Chromatography/Mass Spectrometry Sample Preparation: Dilute analyte ~1 mg/mL in 9:1 chloroform/methanol. Instrument:

RCS-8The Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Page 3 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013m/z35030025020015010050

[x 1

05 ]In

tens

ity

1

2

3

4

5

375

278

254

235

226

219

206

204

193

183

180

170

16915

814

413

012

912

111

610

291

7869

55

41

EI+

EI Mass Spectrum: RCS-8 Lot # ALB203-21

3.2 Gas Chromatography/Mass Spectrometry

Sample Preparation: Dilute analyte ~1 mg/mL in 9:1 chloroform/methanol.

Instrument: Agilent gas chromatograph operated in split mode with MS detectorColumn: DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25 µmCarrier Gas: Helium at 1 mL/minTemperatures: Injector: 280oC MSD transfer line: 280oC MS Source: 230oC MS Quad: 150oC Oven program: 1) 100oC initial temperature for 1.0 min 2) Ramp to 300oC at 12 oC/min 3) Hold final temperature for 9.0 minInjection Parameters: Split Ratio = 20:1, 1 µL injectedMS Parameters: Mass scan range: 30-550 amu Threshold: 100 Tune file: stune.u Acquisition mode: scanRetention Time: 21.906 min

Page 4: RCS-8 - swgdrug.org · EI Mass Spectrum: RCS-8 Lot # ALB203-21 3.2 Gas Chromatography/Mass Spectrometry Sample Preparation: Dilute analyte ~1 mg/mL in 9:1 chloroform/methanol. Instrument:

RCS-8The Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Page 4 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013

Wavenumber (cm-1)3500 3000 2500 2000 1500

%Tr

ansm

ittan

ce

20

30

40

50

60

70

3105

29222841

16351612

15251444

13851286

12481225

11901138

11091026

1012941

910 843758

739714

631 604 517459

428

Wavenumber (cm-1)1700 1600 1500 1400 1300 1200 1100 1000 900 800 700

%Tr

ansm

ittan

ce

20

30

40

50

60

70

16351599

15871525

1497

1444

13851342 1286

12481225

11901178

11381109

108810571051

10261012

962941

910877 843

806

758739

714

631 604

542 517

459428

FTIR ATR (Diamond, 3 Bounce): RCS-8 Lot # ALB203-21

3.3 INFRARED SPECTROSCOPY (FTIR)

Insrument: FTIR with diamond ATR attachment (3 bounce)Scan Parameters: Number of scans: 32

Number of background scans: 32Resolution: 4 cm-1

Sample gain: 8Aperture: 150

Page 5: RCS-8 - swgdrug.org · EI Mass Spectrum: RCS-8 Lot # ALB203-21 3.2 Gas Chromatography/Mass Spectrometry Sample Preparation: Dilute analyte ~1 mg/mL in 9:1 chloroform/methanol. Instrument:

RCS-8The Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Page 5 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013

http://en.wikipedia.org/wiki/RCS-8

http://forendex.southernforensic.org/index.php/detail/index/1100

4. ADDITIONAL RESOURCES

Forendex

Wikipedia