| SpectraBase Spectrum ID |
7txV419A1pF |
| Name |
isocaffeic acid, 3TMS |
| Comments |
Derivatization type: 3 TMS (mass: 396.161); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000173; Note: The molecular formula of the structure shown is C9H8O4 - which differs from the formula reported for the mass spectrum (C18H32O4Si3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H32O4Si3 |
| InChI |
InChI=1S/C18H32O4Si3/c1-23(2,3)20-16-12-10-15(14-17(16)21-24(4,5)6)11-13-18(19)22-25(7,8)9/h10-14H,1-9H3/b13-11- |
| InChIKey |
MBIYCWDFSLHMSI-QBFSEMIESA-N |
| Molecular Weight |
396.705 g/mol |
| SMILES |
c1cc(c(cc1\C=C/C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C |
| SPLASH |
splash10-014i-0691000000-7a15c47294381918bb6b |
| Source of Spectrum |
FM-2019-173-0 |
| Synonyms |
Caffeate, 3TMS
caffeic acid, 3TMS
cis-Caffeic acid, 3TMS
3,4-Dihydroxycinnamic acid, 3TMS
Lopac-C-0625, 3TMS
CHEBI:17395, 3TMS
(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid, 3TMS
Trimethylsilyl (Z)-3-(3,4-bis((trimethylsilyl)oxy)phenyl)acrylate |
| Wiley ID |
1817864 |
