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

*Links on SpectraBase are not permalinks.
Cocaethylene                        @
SpectraBase Compound ID 9fgKyfqAH97
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
InChIKey NMPOSNRHZIWLLL-UHFFFAOYSA-N
Mol Weight 317.39 g/mol
Molecular Formula C18H23NO4
Exact Mass 317.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID IQKtBLYgv6I
Name Cocaethylene @
Classification Local anesthetic Addictive drug
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 317.162708221 u
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
InChIKey NMPOSNRHZIWLLL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 317.385 g/mol
SMILES c1(ccccc1)C(OC1C(C2N(C)C(CC2)C1)C(OCC)=O)=O
SPLASH splash10-05o1-9712000000-f73ea68e94ed4ae64aa5
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Cocaine-M (benzoylecgonine) ET Cocaine-M (cocaethylene)
Technique GC/MS
Wiley ID MMPW6e_466