| SpectraBase Spectrum ID |
JKBTuf0Ev79 |
| Name |
1,2-Benzenediol, o-(4-trifluoromethylbenzoyl)-o'-(4-fluorobenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.067171514 u |
| Formula |
C21H12F4O4 |
| InChI |
InChI=1S/C21H12F4O4/c22-16-11-7-14(8-12-16)20(27)29-18-4-2-1-3-17(18)28-19(26)13-5-9-15(10-6-13)21(23,24)25/h1-12H |
| InChIKey |
RHVDQQXWWOYUNG-UHFFFAOYSA-N |
| Molecular Weight |
404.317 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)C1=CC=C(C(F)(F)F)C=C1)OC(=O)C1=CC=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906111 |
