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O-BENZOYL-ECGONINE-HYDROCHLORIDE
SpectraBase Compound ID CxsYteVvico
InChI InChI=1S/C16H19NO4.ClH/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);1H/t11-,12+,13?,14?;/m1./s1
InChIKey CMSMPZLAQCHUGM-AJBYZYJGSA-N
Mol Weight 325.79 g/mol
Molecular Formula C16H20ClNO4
Exact Mass 325.108086 g/mol
Parent InChIKey GVGYEFKIHJTNQZ-KBHBFKLGSA-N
Enantiomer InChIKey CMSMPZLAQCHUGM-LXEXCEOOSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent D2O
Title Journal or Book Year
Carbon-13 magnetic resonance spectra of cocaine metabolites and derivatives Journal of Heterocyclic Chemistry 1978

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