| SpectraBase Spectrum ID |
D5EDueTh6u9 |
| Name |
5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid, tms derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.074782028 u |
| Formula |
C14H17ClN2O2Si |
| InChI |
InChI=1S/C14H17ClN2O2Si/c1-10-12(14(18)19-20(2,3)4)13(15)17(16-10)11-8-6-5-7-9-11/h5-9H,1-4H3 |
| InChIKey |
ICKQPVFMPMZOPH-UHFFFAOYSA-N |
| Molecular Weight |
308.840 g/mol |
| SMILES |
C=1(Cl)N(N=C(C1C(=O)O[Si](C)(C)C)C)C1=CC=CC=C1 |
