| SpectraBase Spectrum ID |
DoOWzjFtgUy |
| Name |
Phenylacetoxy-ecgonine methyl ester |
| Classification |
Drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
317.162708221 u |
| Formula |
C18H23NO4 |
| InChI |
InChI=1S/C18H23NO4/c1-19-13-8-9-14(19)17(18(21)22-2)15(11-13)23-16(20)10-12-6-4-3-5-7-12/h3-7,13-15,17H,8-11H2,1-2H3/t13-,14+,15-,17+/m0/s1 |
| InChIKey |
CCPHLIQAQRJPKE-QSJFSLAZSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
317.385 g/mol |
| Nominal Mass |
317 u |
| Quality |
984 |
| Retention Index |
2427 |
| SMILES |
[C@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C)[H])(OC(CC=1C=CC=CC1)=O)[H])(C(OC)=O)[H] |
| SPLASH |
splash10-001i-9500000000-f1b22a5b41c2e85bc31a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl 8-methyl-3-(2-phenylacetoxy)-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018757 |
