| SpectraBase Spectrum ID |
2Q5XpnWT8uk |
| Name |
4-(Benzenesulfonyl)-5-methyl-1-phenyl-3-pyrazolecarboxylic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.083078173 u |
| Formula |
C18H16N2O4S |
| InChI |
InChI=1S/C18H16N2O4S/c1-13-17(25(22,23)15-11-7-4-8-12-15)16(18(21)24-2)19-20(13)14-9-5-3-6-10-14/h3-12H,1-2H3 |
| InChIKey |
AWAXEVCRXVBLNG-UHFFFAOYSA-N |
| Molecular Weight |
356.396 g/mol |
| SMILES |
C=1(C(=NN(C1C)C1=CC=CC=C1)C(=O)OC)S(=O)(=O)C=1C=CC=CC1 |
