| SpectraBase Spectrum ID |
60vWMLmjaBC |
| Name |
1,2-Benzenediol, o-phenylthioacetyl-o'-(2,3,4-trifluorobenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.048664558 u |
| Formula |
C21H13F3O4S |
| InChI |
InChI=1S/C21H13F3O4S/c22-15-11-10-14(19(23)20(15)24)21(26)28-17-9-5-4-8-16(17)27-18(25)12-29-13-6-2-1-3-7-13/h1-11H,12H2 |
| InChIKey |
IHJYTUSWMJJONT-UHFFFAOYSA-N |
| Molecular Weight |
418.386 g/mol |
| SMILES |
C1=C(C=CC=C1)SCC(OC1=CC=CC=C1OC(C1=CC=C(C(=C1F)F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959519 |
