Cocaine hydrochloride
Compound with spectra: 2 NMR, 2 FTIR, and 1 Raman
| SpectraBase Compound ID | JR2zaBMlUYt |
|---|---|
| InChI | InChI=1S/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15+;/m0./s1 |
| InChIKey | PIQVDUKEQYOJNR-VZXSFKIWSA-N |
| Mol Weight | 339.82 g/mol |
| Molecular Formula | C17H22ClNO4 |
| Exact Mass | 339.123736 g/mol |
| Parent InChIKey | ZPUCINDJVBIVPJ-LJISPDSOSA-N |
| Enantiomer InChIKey | PIQVDUKEQYOJNR-KOVRDVONSA-N |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alltech Associates, Inc., Grace Davison Discovery Sciences |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 01800 |
| Technique | KBr0 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alltech Associates, Inc., Grace Davison Discovery Sciences |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 01800 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alltech Associates, Inc., Grace Davison Discovery Sciences |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 01800 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | D2O |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | D2O |
- Methyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate hydrochloride
- Cocaine HCl
- COCAINHYDROCHLORIDE
| Title | Journal or Book | Year |
|---|---|---|
| Carbon-13 Nuclear Magnetic Resonance in Alkaloid Chemistry | HETEROCYCLES | 1983 |
| 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.
KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.