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(-)-Benzoylecgonine
SpectraBase Compound ID 3xtTuFVNfvY
InChI InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m1/s1
InChIKey GVGYEFKIHJTNQZ-RQJABVFESA-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 6rXT7aI1WxR
Name BENZOYLECGONINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H19NO4
InChI InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m1/s1
InChIKey GVGYEFKIHJTNQZ-RQJABVFESA-N
Instrument Name GC
Molecular Weight 289.331 g/mol
SMILES OC(=O)[C@@]1([C@](OC(c2ccccc2)=O)(C[C@@]2(N(C)[C@]1(CC2)[H])[H])[H])[H]
SPLASH splash10-00ec-9500000000-f758b0567dbb7d9c36ba
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany