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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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 1rIQ6OlkSvL
Name Cocaethylene
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Catalog Number 01536
Lot Number 1008
Accessory DurasamplIR II
CAS Registry Number 529-38-4
Classification Coca Leaves, Cocaine, and Ecgonine
Code of Federal Regulations 21 CFR Section 1308.12 (b) (4)
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
DEA Controlled Substances Code Number 9041
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
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, (1R-(exo,exo))-
Technique ATR-Neat (DuraSamplIR II)