| SpectraBase Spectrum ID |
C8cFG9X51Wr |
| Name |
2-((2-Cyano-3-(1,3-diphenyl-1H-pyrazol-4-yl)acryloyl) thio)benzoic acid |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H17N3O3S |
| InChI |
InChI=1S/C26H17N3O3S/c27-16-19(26(32)33-23-14-8-7-13-22(23)25(30)31)15-20-17-29(21-11-5-2-6-12-21)28-24(20)18-9-3-1-4-10-18/h1-15,17H,(H,30,31) |
| InChIKey |
ZQWDIVUIIYMXBX-UHFFFAOYSA-N |
| Instrument Name |
Thermo Scientific GCMS ISQ LT |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.4168 |
| Molecular Weight |
451.500 g/mol |
| SMILES |
OC(c1ccccc1SC(C(=Cc1c(-c2ccccc2)n[n](-c2ccccc2)c1)C#N)=O)=O |
| SPLASH |
splash10-059x-7966800000-6814db9b65c9a5f6be76 |
| Source of Spectrum |
Y-58-299-4 |
| Wiley ID |
1879306 |
