| SpectraBase Spectrum ID |
2W5CIHxgzQ |
| Name |
Cocaine-M (Nor,+C2H5) AC |
| Classification |
Cocaine metabolite derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
345.157622840 u |
| Formula |
C19H23NO5 |
| InChI |
InChI=1S/C19H23NO5/c1-3-24-19(23)17-15-10-9-14(20(15)12(2)21)11-16(17)25-18(22)13-7-5-4-6-8-13/h4-8,14-17H,3,9-11H2,1-2H3/t14-,15+,16-,17+/m0/s1 |
| InChIKey |
HNHCVRCAOXPYLY-VVLHAWIVSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
345.395 g/mol |
| Nominal Mass |
345 u |
| Quality |
916 |
| Retention Index |
2700 |
| SMILES |
[C@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C(=O)C)[H])(OC(C=1C=CC=CC1)=O)[H])(C(OCC)=O)[H] |
| SPLASH |
splash10-0a4i-5910000000-c3f54382133c9ed4bf25 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Norcocaethylene AC
ethyl 8-acetyl-3-(benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000791 |
