| SpectraBase Spectrum ID |
DkY6xA7iVSi |
| Name |
Cocaine-M (desmethyl) TFA |
| Classification |
Illegal drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
385.113707168 u |
| Formula |
C18H18F3NO5 |
| InChI |
InChI=1S/C18H18F3NO5/c1-22-11-7-8-12(22)14(16(24)27-17(25)18(19,20)21)13(9-11)26-15(23)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13-,14+/m0/s1 |
| InChIKey |
DQBKSGPZLJUDRB-RFQIPJPRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
385.339 g/mol |
| Nominal Mass |
385 u |
| Quality |
1000 |
| Retention Index |
2877 |
| SMILES |
[C@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C)[H])(OC(C1=CC=CC=C1)=O)[H])(C(OC(C(F)(F)F)=O)=O)[H] |
| SPLASH |
splash10-0bt9-3920000000-0b28e4549f6fb25426e1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trifluoroacetyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013370 |
