| SpectraBase Spectrum ID |
GXJSLVldrKy |
| Name |
Benzoylecgonine isopropyl ester |
| CAS Registry Number |
137819-55-7 |
| Classification |
Drug, Pharmaceutical drug, local anesthetic, psychomimetic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
331.178358285 u |
| Formula |
C19H25NO4 |
| InChI |
InChI=1S/C19H25NO4/c1-12(2)23-19(22)17-15-10-9-14(20(15)3)11-16(17)24-18(21)13-7-5-4-6-8-13/h4-8,12,14-17H,9-11H2,1-3H3/t14-,15+,16-,17+/m0/s1 |
| InChIKey |
NGJWCZYRIKMKEP-VVLHAWIVSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
331.412 g/mol |
| Nominal Mass |
331 u |
| Quality |
994 |
| Retention Index |
2603 |
| SMILES |
[C@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C)[H])(OC(C1=CC=CC=C1)=O)[H])(C(OC(C)C)=O)[H] |
| SPLASH |
splash10-001l-9210000000-f5af66201944b783d49c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Propan-2-yl-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033726 |
