| SpectraBase Spectrum ID |
KBdQhI98zT6 |
| Name |
Cocaethylene-M (OH) AC |
| Classification |
Drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
375.168187523 u |
| Formula |
C20H25NO6 |
| InChI |
InChI=1S/C20H25NO6/c1-4-25-20(24)18-16-10-7-14(21(16)3)11-17(18)27-19(23)13-5-8-15(9-6-13)26-12(2)22/h5-6,8-9,14,16-18H,4,7,10-11H2,1-3H3/t14-,16+,17-,18+/m0/s1 |
| InChIKey |
JOHBYROFDGZBRQ-XOYOTBSWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
375.421 g/mol |
| Nominal Mass |
375 u |
| Quality |
927 |
| Retention Index |
2909 |
| SMILES |
[C@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C)[H])(OC(C1=CC=C(C=C1)OC(=O)C)=O)[H])(C(OCC)=O)[H] |
| SPLASH |
splash10-001j-9501000000-6384cc8b10a426101356 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ethyl 3-((4-(acetyloxy)benzoyl)oxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006248 |
