O-BENZOYL-ECGONINE-HYDROCHLORIDE
Compound with spectra: 1 NMR
| 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 |
Cocaine-M (benzoylecgonine)
BENZOYLECGONINE;3-BENZOYLOXY-8-METHYL-8-AZABICYCLO-[3.2.1]-OCTANE-4-CARBOXYLIC-ACID;BEG
CINNAMOYLECGONINE
Cocaethylene-M (ethylecgonine) AC @
Ethylecgonine AC
Cocaine-M/A (methylecgonine) TFA @
8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-2-(phenylmethyl)-, benzoate (ester)
Cocaethylene-M (ethylecgonine) TMS @
Ethylecgonine TMS
Ecgonine diTMS Derivative
| Title | Journal or Book | Year |
|---|---|---|
| Carbon-13 magnetic resonance spectra of cocaine metabolites and derivatives | Journal of Heterocyclic Chemistry | 1978 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.