| SpectraBase Spectrum ID |
5WN5bx6CUD2 |
| Name |
(E)-3,4,5-Trimethoxy-cinnamoylecgoninemethyl ester |
| Classification |
Tropane alkaloid |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
419.194402271 u |
| Formula |
C22H29NO7 |
| InChI |
InChI=1S/C22H29NO7/c1-23-14-7-8-15(23)20(22(25)29-5)16(12-14)30-19(24)9-6-13-10-17(26-2)21(28-4)18(11-13)27-3/h6,9-11,14-16,20H,7-8,12H2,1-5H3/b9-6+/t14-,15+,16-,20+/m0/s1 |
| InChIKey |
GZFLUYGBHUUOIN-ZTBOTDOASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
419.474 g/mol |
| Nominal Mass |
419 u |
| Quality |
825 |
| Retention Index |
3246 |
| SMILES |
[C@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C)[H])(OC(\C=C\C=1C=C(C(=C(C1)OC)OC)OC)=O)[H])(C(OC)=O)[H] |
| SPLASH |
splash10-001i-9850000000-3f7ae80d337f23e566e8 |
| Sample Comments |
Methoxy position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 8-methyl-3-(((2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl)oxy)-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007647 |
