For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Cocaethylene
SpectraBase Compound ID FHMqX2586vc
InChI InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1
InChIKey NMPOSNRHZIWLLL-XUWVNRHRSA-N
Mol Weight 317.39 g/mol
Molecular Formula C18H23NO4
Exact Mass 317.162708 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5XgfGpI57zD
Name Cocaethylene
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Catalog Number 01536
Lot Number 1008
CAS Registry Number 529-38-4
Classification Coca Leaves, Cocaine, and Ecgonine
Compound Type Pure
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO4
InChI InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1
InChIKey NMPOSNRHZIWLLL-XUWVNRHRSA-N
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd: YAG
Raman Laser Wavelength 1064
Sadtler IR Number DW0147
Source of Spectrum Forensic Spectral Research
Synonyms 3-(Benzoyloxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylic acid, ethyl ester (1R-(exo,exo))-
Technique FT-Raman