| SpectraBase Spectrum ID |
9WztqoEhG9x |
| Name |
4-(benzenesulfonylmethyl)-1-phenyl-3-pyrazolecarboxylic acid methyl ester |
| CAS Registry Number |
89805-04-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H16N2O4S |
| InChI |
InChI=1S/C18H16N2O4S/c1-24-18(21)17-14(12-20(19-17)15-8-4-2-5-9-15)13-25(22,23)16-10-6-3-7-11-16/h2-12H,13H2,1H3 |
| InChIKey |
BMXKDOAXFAVTQI-UHFFFAOYSA-N |
| Molecular Weight |
356.396 g/mol |
| SMILES |
c1(c(n[n](c1)-c1ccccc1)C(=O)OC)CS(=O)(=O)c1ccccc1 |
| SPLASH |
splash10-014i-0090000000-622aeb4736c360c856b8 |
| Source of Spectrum |
Y-20-1706-0 |
| Synonyms |
4-(besylmethyl)-1-phenyl-pyrazole-3-carboxylic acid methyl ester
methyl 1-phenyl-4-(phenylsulfonylmethyl)pyrazole-3-carboxylate
methyl 4-(benzenesulfonylmethyl)-1-phenyl-pyrazole-3-carboxylate |
| Wiley ID |
1345651 |
