| SpectraBase Spectrum ID |
39KcMOTwMgK |
| Name |
Norcocaine AC |
| CAS Registry Number |
137668-43-0 |
| Classification |
Drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
331.141972775 u |
| Formula |
C18H21NO5 |
| InChI |
InChI=1S/C18H21NO5/c1-11(20)19-13-8-9-14(19)16(18(22)23-2)15(10-13)24-17(21)12-6-4-3-5-7-12/h3-7,13-16H,8-10H2,1-2H3/t13-,14+,15-,16+/m0/s1 |
| InChIKey |
OHUOYIUXXBLSTC-XUWVNRHRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
331.368 g/mol |
| Nominal Mass |
331 u |
| Quality |
995 |
| Retention Index |
2600 |
| SMILES |
[C@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C(=O)C)[H])(OC(C=1C=CC=CC1)=O)[H])(C(OC)=O)[H] |
| SPLASH |
splash10-0aor-7910000000-0d1b4365abaa08c75d7d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-Acetylnorcocaine
methyl 8-acetyl-3-(benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033646 |
