| SpectraBase Spectrum ID |
2oxRTPmCbHE |
| Name |
Norcocaine |
| CAS Registry Number |
18717-72-1 |
| Classification |
Cocaine metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
289.131408092 u |
| Formula |
C16H19NO4 |
| InChI |
InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12+,13-,14+/m0/s1 |
| InChIKey |
AYDBLCSLKNTEJL-RFQIPJPRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
289.331 g/mol |
| Nominal Mass |
289 u |
| Quality |
995 |
| Retention Index |
2162 |
| SMILES |
[C@]1([C@](C[C@]2(N[C@@]1(CC2)[H])[H])(OC(C=1C=CC=CC1)=O)[H])(C(OC)=O)[H] |
| SPLASH |
splash10-014i-5900000000-3b3ac0f2b722b15afb2b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl 3-benzoyloxy-8-azabicyclo[3.2.1]octane-4-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_029834 |
