| SpectraBase Spectrum ID |
8FX4ZYUDngO |
| Name |
Pseudoallococaine |
| CAS Registry Number |
53-21-4 |
| Classification |
Drug isomer |
| 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-/m0/s1 |
| InChIKey |
ZPUCINDJVBIVPJ-YJNKXOJESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
303.358 g/mol |
| Nominal Mass |
303 u |
| Quality |
916 |
| Retention Index |
2403 |
| SMILES |
[C@@]1([C@@](C[C@]2(N([C@@]1(CC2)[H])C)[H])(OC(C1=CC=CC=C1)=O)[H])(C(OC)=O)[H] |
| SPLASH |
splash10-001i-9800000000-686ad49fa66a0afdc0bc |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (2S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003793 |
