| SpectraBase Spectrum ID |
2pUySMuuoc4 |
| Name |
trans-Cinnamoylcocaine |
| Classification |
Cocaine ingredient |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
329.162708221 u |
| Formula |
C19H23NO4 |
| InChI |
InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8+/t14-,15+,16-,18+/m0/s1 |
| InChIKey |
MQIXMJWNEKUAOZ-UYCDZTDFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
329.396 g/mol |
| Nominal Mass |
329 u |
| Quality |
990 |
| Retention Index |
2521 |
| SMILES |
[C@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C)[H])(OC(\C=C\C=1C=CC=CC1)=O)[H])(C(OC)=O)[H] |
| SPLASH |
splash10-001i-9400000000-72e871005dee299670e7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 8-methyl-3-(((2E)-3-phenylprop-2-enoyl)oxy)-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007366 |
