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Cocaethylene

View entire compound with spectra: 2 FTIR, 1 Raman, and 7 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CuRxMVaJGH
Name Cocaethylene
Catalog Number 18037
CAS Registry Number 529-38-4
Copyright Copyright © 2020-2024 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
Molecular Weight 317.385 g/mol
SMILES C1C[C@]2(C[C@@]([C@@]([C@@]1(N2C)[H])(C(OCC)=O)[H])(OC(=O)c1ccccc1)[H])[H]
SPLASH splash10-001j-9500000000-9ae7e7d9722ced08d889
Source of Spectrum CAY-2023-383-0
Wiley ID 1888349