| SpectraBase Spectrum ID |
B9uLk0HDnFe |
| Name |
Bornaprine-M (Desethyl,OH) 2AC II |
| Classification |
Pharmaceutical drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
401.220223097 u |
| Formula |
C23H31NO5 |
| InChI |
InChI=1S/C23H31NO5/c1-4-24(16(2)25)11-6-12-28-22(27)23(15-18-9-10-20(23)13-18)19-7-5-8-21(14-19)29-17(3)26/h5,7-8,14,18,20H,4,6,9-13,15H2,1-3H3 |
| InChIKey |
TVHAFMVRRBVSNN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
401.503 g/mol |
| Nominal Mass |
401 u |
| Quality |
927 |
| Retention Index |
3024 |
| SMILES |
C1(C2CC(C1)CC2)(C=1C=C(OC(=O)C)C=CC1)C(OCCCN(C(=O)C)CC)=O |
| SPLASH |
splash10-06w9-5900000000-4925bfd6fa4026dbda44 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(acetyl(ethyl)amino)propyl 2-(3-(acetyloxy)phenyl)bicyclo[2.2.1]heptane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009295 |
