| SpectraBase Spectrum ID |
27utoehHkTH |
| Name |
1,2-Benzenediol, o-phenylthioacetyl-o'-(4-trifluoromethylbenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.064314622 u |
| Formula |
C22H15F3O4S |
| InChI |
InChI=1S/C22H15F3O4S/c23-22(24,25)16-12-10-15(11-13-16)21(27)29-19-9-5-4-8-18(19)28-20(26)14-30-17-6-2-1-3-7-17/h1-13H,14H2 |
| InChIKey |
CWYCKAPBSKZCRQ-UHFFFAOYSA-N |
| Molecular Weight |
432.413 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)C1=CC=C(C=C1)C(F)(F)F)OC(=O)CSC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936081 |
