| SpectraBase Spectrum ID |
8JcA1jcFqi0 |
| Name |
Norcocaine TFA |
| Classification |
Drug metabolite derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
385.113707168 u |
| Formula |
C18H18F3NO5 |
| InChI |
InChI=1S/C18H18F3NO5/c1-26-16(24)14-12-8-7-11(22(12)17(25)18(19,20)21)9-13(14)27-15(23)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13-,14+/m0/s1 |
| InChIKey |
GPYCZTQEKNZVEK-RFQIPJPRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
385.339 g/mol |
| Nominal Mass |
385 u |
| Quality |
991 |
| Retention Index |
2953 |
| SMILES |
[C@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C(C(F)(F)F)=O)[H])(OC(C=1C=CC=CC1)=O)[H])(C(OC)=O)[H] |
| SPLASH |
splash10-0bt9-4910000000-73bba5223f7f7300bbd6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Cocaine-M (-CH3) TFA
methyl 3-(benzoyloxy)-8-(trifluoroacetyl)-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_017329 |
