| SpectraBase Spectrum ID |
JI6GXM78OGG |
| Name |
Cocaine-M (OH) AC |
| Classification |
Drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
361.152537459 u |
| Formula |
C19H23NO6 |
| InChI |
InChI=1S/C19H23NO6/c1-11(21)25-14-7-4-12(5-8-14)18(22)26-16-10-13-6-9-15(20(13)2)17(16)19(23)24-3/h4-5,7-8,13,15-17H,6,9-10H2,1-3H3/t13-,15+,16-,17+/m0/s1 |
| InChIKey |
MJDQUQBEPNCAKS-PQEBFOHHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
361.394 g/mol |
| Nominal Mass |
361 u |
| Quality |
927 |
| Retention Index |
2809 |
| SMILES |
[C@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C)[H])(OC(C=1C=CC(=CC1)OC(=O)C)=O)[H])(C(OC)=O)[H] |
| SPLASH |
splash10-001i-9500000000-fbd67800dbd554f1d2bd |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 3-((4-(acetyloxy)benzoyl)oxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006247 |
