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Ethylecgonine
SpectraBase Compound ID K5RWy5ghrEi
InChI InChI=1S/C11H19NO3/c1-3-15-11(14)10-8-5-4-7(12(8)2)6-9(10)13/h7-10,13H,3-6H2,1-2H3/t7-,8+,9-,10+/m0/s1
InChIKey ABDMBNAKYBUEEX-QCLAVDOMSA-N
Mol Weight 213.28 g/mol
Molecular Formula C11H19NO3
Exact Mass 213.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnqQGPmF6Z6
Name Ethylecgonine
CAS Registry Number 70939-97-8
Classification Drug derivative
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 213.136493473 u
Formula C11H19NO3
InChI InChI=1S/C11H19NO3/c1-3-15-11(14)10-8-5-4-7(12(8)2)6-9(10)13/h7-10,13H,3-6H2,1-2H3/t7-,8+,9-,10+/m0/s1
InChIKey ABDMBNAKYBUEEX-QCLAVDOMSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 213.277 g/mol
Nominal Mass 213 u
Quality 983
Retention Index 1629
SMILES O[C@@]1([C@@]([C@@]2(N([C@](C1)(CC2)[H])C)[H])(C(OCC)=O)[H])[H]
SPLASH splash10-001i-9100000000-d9d39fe08c561d02e8db
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Ecgoninethyl ester Ethyl (1R,3S,4R,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Technique GC/MS
Wiley ID DD2024_001361