N-Allylcocaine hydrochloride
Compound with spectra: 1 NMR
| SpectraBase Compound ID | IosmtHpoC2O |
|---|---|
| InChI | InChI=1S/C19H23NO4.ClH/c1-3-11-20-14-9-10-15(20)17(19(22)23-2)16(12-14)24-18(21)13-7-5-4-6-8-13;/h3-8,14-17H,1,9-12H2,2H3;1H/t14-,15+,16-,17+;/m0./s1 |
| InChIKey | SMKTZQCLCMCHPR-RGWPEEHPSA-N |
| Mol Weight | 365.86 g/mol |
| Molecular Formula | C19H24ClNO4 |
| Exact Mass | 365.139386 g/mol |
| Parent InChIKey | OLKZDWYIZCZYLB-VVLHAWIVSA-N |
| Enantiomer InChIKey | SMKTZQCLCMCHPR-QKXZLCLGSA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | D2O |
Cocaine D3
o-Chlorococaine
3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]ocatane-2-carboxylic acid 1,1-di(trifluoromethyl)methyl ester
[1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid 1,1-di(trifluoromethyl)methyl ester
Benzoylecgonine,2,2,3,3,3-pentafluoropropyl ester
Cocaine-M (HO-BZE) ACTMS
Benzoylecgonine-D3
(2R,3S)-DIHYDROXY-3-PHENYLPROPIONYL-ECGONINE-METHYLESTER
(2R,3R)-DIHYDROXY-3-PHENYLPROPIONYL-ECGONINE-METHYLESTER
(2S,3R)-DIHYDROXY-3-PHENYLPROPIONYL-ECGONINE-METHYLESTER
| 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.