| SpectraBase Spectrum ID |
JVROwAmCAbB |
| Name |
1,2-Benzenediol, o-(4-trifluoromethylbenzoyl)-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 |
440.048327776 u |
| Formula |
C21H10F6O4 |
| InChI |
InChI=1S/C21H10F6O4/c22-14-10-9-13(17(23)18(14)24)20(29)31-16-4-2-1-3-15(16)30-19(28)11-5-7-12(8-6-11)21(25,26)27/h1-10H |
| InChIKey |
JGWGEWUFXOJJNM-UHFFFAOYSA-N |
| Molecular Weight |
440.297 g/mol |
| SMILES |
C(C1=CC=C(C(OC2=CC=CC=C2OC(=O)C2=CC=C(C(=C2F)F)F)=O)C=C1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913687 |
