| SpectraBase Spectrum ID |
9tSBmZqnO8X |
| Name |
4-(3-mercapto-3-(phenylamino)-2-(phenylsulfonyl)acryloyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H23N3O4S2 |
| InChI |
InChI=1S/C26H23N3O4S2/c1-18-22(26(31)29(28(18)2)20-14-8-4-9-15-20)23(30)24(25(34)27-19-12-6-3-7-13-19)35(32,33)21-16-10-5-11-17-21/h3-17,27,34H,1-2H3/b25-24+ |
| InChIKey |
GKMDEZQBOZJXOD-OCOZRVBESA-N |
| Instrument Name |
Shimadzu GCMS-QP1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.3305 |
| Molecular Weight |
505.607 g/mol |
| SMILES |
N(\C(=C\(C(C=1C(N(N(C1C)C)c1ccccc1)=O)=O)S(c1ccccc1)(=O)=O)S)c1ccccc1 |
| SPLASH |
splash10-05r0-9231000000-38d04adb338a1a766fdb |
| Source of Spectrum |
Y-55-2413-2 |
| Wiley ID |
1878891 |
