| SpectraBase Spectrum ID |
JHmYW1kA9E8 |
| Name |
Bornaprine-M (OH) I |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
345.230393859 u |
| Formula |
C21H31NO3 |
| InChI |
InChI=1S/C21H31NO3/c1-3-22(4-2)12-7-13-25-20(24)21(15-16-10-11-17(21)14-16)18-8-5-6-9-19(18)23/h5-6,8-9,16-17,23H,3-4,7,10-15H2,1-2H3 |
| InChIKey |
CPYKXXZVWOPTPX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
345.483 g/mol |
| Nominal Mass |
345 u |
| Quality |
915 |
| Retention Index |
2631 |
| SMILES |
OC=1C(C2(C3CC(C2)CC3)C(OCCCN(CC)CC)=O)=CC=CC1 |
| SPLASH |
splash10-000i-9200000000-9ee4663cc0e5212f69a1 |
| Sample Comments |
Hydroxyl position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(diethylamino)propyl 2-(2-hydroxyphenyl)bicyclo[2.2.1]heptane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009291 |
