| SpectraBase Spectrum ID |
8ISQnEl8H2G |
| Name |
Caffeic acid 3TMS |
| CAS Registry Number |
10586-03-5 |
| Classification |
Vegetables and herbs ingredient derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
396.160839111 u |
| 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-ACCUITESSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
396.705 g/mol |
| Nominal Mass |
396 u |
| Quality |
996 |
| Retention Index |
2711 |
| SMILES |
C=1(C(O[Si](C)(C)C)=CC(=CC1)\C=C\C(O[Si](C)(C)C)=O)O[Si](C)(C)C |
| SPLASH |
splash10-00r2-5379000000-61c21d30fb0df841ed43 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trimethylsilyl (2E)-3-(3,4-bis((trimethylsilyl)oxy)phenyl)prop-2-enoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008404 |
![2-Propenoic acid, 3-[3,4-bis[(trimethylsilyl)oxy]phenyl]-, trimethylsilyl ester](/api/spectrum/8ISQnEl8H2G/structure.png?h=300&w=458 "2-Propenoic acid, 3-[3,4-bis[(trimethylsilyl)oxy]phenyl]-, trimethylsilyl ester")
