| SpectraBase Spectrum ID |
EUwgUebWltH |
| Name |
1,2-Benzenediol, o-(2-chlorobenzoyl)-o'-(2-trifluoromethylbenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.037621051 u |
| Formula |
C21H12ClF3O4 |
| InChI |
InChI=1S/C21H12ClF3O4/c22-16-10-4-2-8-14(16)20(27)29-18-12-6-5-11-17(18)28-19(26)13-7-1-3-9-15(13)21(23,24)25/h1-12H |
| InChIKey |
PNCRSPAVNLRTJW-UHFFFAOYSA-N |
| Molecular Weight |
420.771 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)C=1C(C(F)(F)F)=CC=CC1)OC(=O)C1=CC=CC=C1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862861 |
