| SpectraBase Spectrum ID |
4x2m31YInJl |
| Name |
4-(2',4'-Dichlorobenzoyl)-1-methyl-5-[(p-toluenesulfonyl)oxy]-3-(trifluoromethyl)pyrazole |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
491.992517966 u |
| Formula |
C19H13Cl2F3N2O4S |
| InChI |
InChI=1S/C19H13Cl2F3N2O4S/c1-10-3-6-12(7-4-10)31(28,29)30-18-15(17(19(22,23)24)25-26(18)2)16(27)13-8-5-11(20)9-14(13)21/h3-9H,1-2H3 |
| InChIKey |
WJCQSQFAKSVFRQ-UHFFFAOYSA-N |
| Molecular Weight |
493.284 g/mol |
| SMILES |
C1(=C(OS(C=2C=CC(=CC2)C)(=O)=O)N(C)N=C1C(F)(F)F)C(C=1C(=CC(=CC1)Cl)Cl)=O |
![4-(2',4'-Dichlorobenzoyl)-1-methyl-5-[(p-toluenesulfonyl)oxy]-3-(trifluoromethyl)pyrazole](/api/spectrum/4x2m31YInJl/structure.png?h=300&w=458 "4-(2',4'-Dichlorobenzoyl)-1-methyl-5-[(p-toluenesulfonyl)oxy]-3-(trifluoromethyl)pyrazole")
