| SpectraBase Spectrum ID |
JGISfiumGbA |
| Name |
Cocaethylene-M (N-Desmethyl) |
| Classification |
Drug, Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
303.147058156 u |
| Formula |
C17H21NO4 |
| InChI |
InChI=1S/C17H21NO4/c1-2-21-17(20)15-13-9-8-12(18-13)10-14(15)22-16(19)11-6-4-3-5-7-11/h3-7,12-15,18H,2,8-10H2,1H3/t12-,13+,14-,15+/m0/s1 |
| InChIKey |
MABVIZVTLRQVOB-LJISPDSOSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
303.358 g/mol |
| Nominal Mass |
303 u |
| Quality |
904 |
| Retention Index |
2441 |
| SMILES |
[C@]1([C@](C[C@]2(N[C@@]1(CC2)[H])[H])(OC(C1=CC=CC=C1)=O)[H])(C(OCC)=O)[H] |
| SPLASH |
splash10-05o0-9700000000-34de17505ecb98b72cd5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ethyl 3-(benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000789 |
