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Cocaethylene-M (N-Desmethyl)
SpectraBase Compound ID 2xr1Jbf3csg
InChI InChI=1S/C17H21NO4/c1-2-21-17(20)15-13-9-8-12(18-13)10-14(15)22-16(19)11-6-4-3-5-7-11/h3-7,12-15,18H,2,8-10H2,1H3/t12-,13+,14-,15+/m0/s1
InChIKey MABVIZVTLRQVOB-LJISPDSOSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JnC63gSssq
Name Cocaethylene-M (N-Desmethyl)
Classification Drug, Pharmaceutical drug metabolite
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 303.147058156 u
Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c1-2-21-17(20)15-13-9-8-12(18-13)10-14(15)22-16(19)11-6-4-3-5-7-11/h3-7,12-15,18H,2,8-10H2,1H3/t12-,13+,14-,15+/m0/s1
InChIKey MABVIZVTLRQVOB-LJISPDSOSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 303.358 g/mol
Nominal Mass 303 u
Quality 875
Retention Index 2441
SMILES [C@]1([C@](C[C@]2(N[C@@]1(CC2)[H])[H])(OC(C1=CC=CC=C1)=O)[H])(C(OCC)=O)[H]
SPLASH splash10-001i-7900000000-9de5c3bc0a339f0133f7
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms ethyl 3-(benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate
Technique GC/MS
Wiley ID DD2024_000788