| SpectraBase Spectrum ID |
CeAZN85o74T |
| Name |
urocanic acid, 2TMS |
| Comments |
Derivatization type: 2 TMS (mass: 282.122); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000737; Note: The molecular formula of the structure shown is C6H6N2O2 - which differs from the formula reported for the mass spectrum (C12H22N2O2Si2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H22N2O2Si2 |
| InChI |
InChI=1S/C12H22N2O2Si2/c1-17(2,3)14-10-13-9-11(14)7-8-12(15)16-18(4,5)6/h7-10H,1-6H3/b8-7+ |
| InChIKey |
UNSCQUWVWIFYGJ-BQYQJAHWSA-N |
| Molecular Weight |
282.490 g/mol |
| SMILES |
C(\C=C\c1cnc[n]1[Si](C)(C)C)(=O)O[Si](C)(C)C |
| SPLASH |
splash10-014m-1920000000-e93ae5542ae7c93b571c |
| Source of Spectrum |
FM-2019-737-0 |
| Synonyms |
Urocaninic acid, 2TMS
urocanate, 2TMS
cis-Urocanic acid, 2TMS
trans-Urocanic acid, 2TMS
imidazoleacrylic acid, 2TMS
(E)-3-(3H-imidazol-4-yl)prop-2-enoic acid, 2TMS
Trimethylsilyl (E)-3-(1-(trimethylsilyl)-1H-imidazol-5-yl)acrylate |
| Wiley ID |
1818413 |
