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Norcocaine
SpectraBase Compound ID 6i2I7GLwkYg
InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12+,13-,14+/m0/s1
InChIKey AYDBLCSLKNTEJL-RFQIPJPRSA-N
Mol Weight 289.33 g/mol
Molecular Formula C16H19NO4
Exact Mass 289.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IvBFJOcvaq
Name Norcocaine
CAS Registry Number 18717-72-1
Classification Cocaine metabolite
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 289.131408092 u
Formula C16H19NO4
InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12+,13-,14+/m0/s1
InChIKey AYDBLCSLKNTEJL-RFQIPJPRSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 289.331 g/mol
Nominal Mass 289 u
Quality 999
Retention Index 2162
SMILES [C@]1([C@](C[C@]2(N[C@@]1(CC2)[H])[H])(OC(C=1C=CC=CC1)=O)[H])(C(OC)=O)[H]
SPLASH splash10-014i-8900000000-15e30d8b9b7070efaf8f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Methyl 3-benzoyloxy-8-azabicyclo[3.2.1]octane-4-carboxylate
Technique GC/MS
Wiley ID DD2024_029868