| SpectraBase Spectrum ID |
B0dQ0omappw |
| Name |
Cocaine |
| Alternate Name(s) |
Methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO4 |
| InChI |
InChI=1S/C17H21NO4/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/t12-,13+,14-,15+/m0/s1 |
| InChIKey |
ZPUCINDJVBIVPJ-LJISPDSOSA-N |
| Literature Reference DOI |
10.1002/rcm.5136 |
| Molecular Weight |
303.358 g/mol |
| SMILES |
[C@]12([C@]([C@](C[C@](CC2)(N1C)[H])(OC(c1ccccc1)=O)[H])(C(=O)OC)[H])[H] |
| SPLASH |
splash10-001i-9500000000-51abca7b63e93c580421 |
| Source of Spectrum |
RCM-25-2415-Cocaine |
| Wiley ID |
1814718 |
