| SpectraBase Spectrum ID |
2kmetsiKnjs |
| Name |
Psicain |
| Classification |
Pharmaceutical drug, local anesthetict |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
303.147058156 u |
| Formula |
C17H21NO4 |
| InChI |
InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14+,15-/m1/s1 |
| InChIKey |
ZPUCINDJVBIVPJ-CBBWQLFWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
303.358 g/mol |
| Nominal Mass |
303 u |
| Quality |
978 |
| Retention Index |
2327 |
| SMILES |
[C@@]1([C@]2(N([C@@](C[C@@]1(OC(C=1C=CC=CC1)=O)[H])(CC2)[H])C)[H])(C(OC)=O)[H] |
| SPLASH |
splash10-001i-9500000000-4135abf6b8d96b0623f3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (2R,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026582 |
