| SpectraBase Spectrum ID |
EhzudmjOuzC |
| Name |
urocanic acid, 1TMS |
| Comments |
Derivatization type: 1 TMS (mass: 210.082); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000738; Note: The molecular formula of the structure shown is C6H6N2O2 - which differs from the formula reported for the mass spectrum (C9H14N2O2Si) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H14N2O2Si |
| InChI |
InChI=1S/C9H14N2O2Si/c1-14(2,3)13-9(12)5-4-8-6-10-7-11-8/h4-7H,1-3H3,(H,10,11)/b5-4+ |
| InChIKey |
YTFLJSPENKKVQS-SNAWJCMRSA-N |
| Molecular Weight |
210.308 g/mol |
| SMILES |
[nH]1c(cnc1)\C=C\C(=O)O[Si](C)(C)C |
| SPLASH |
splash10-00dm-2900000000-41557b5947971ef598f1 |
| Source of Spectrum |
FM-2019-738-0 |
| Synonyms |
Urocaninic acid, 1TMS
urocanate, 1TMS
cis-Urocanic acid, 1TMS
trans-Urocanic acid, 1TMS
imidazoleacrylic acid, 1TMS
(E)-3-(3H-imidazol-4-yl)prop-2-enoic acid, 1TMS
Trimethylsilyl (E)-3-(1H-imidazol-5-yl)acrylate |
| Wiley ID |
1818414 |
