| SpectraBase Spectrum ID |
JAnxWotHAUM |
| Name |
1,3-Benzenediol, o,o'-di(4-trifluoromethylbenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.063977840 u |
| Formula |
C22H12F6O4 |
| InChI |
InChI=1S/C22H12F6O4/c23-21(24,25)15-8-4-13(5-9-15)19(29)31-17-2-1-3-18(12-17)32-20(30)14-6-10-16(11-7-14)22(26,27)28/h1-12H |
| InChIKey |
GIYHVHADUVZHGM-UHFFFAOYSA-N |
| Molecular Weight |
454.324 g/mol |
| SMILES |
C1(=CC(=CC=C1)OC(C1=CC=C(C=C1)C(F)(F)F)=O)OC(=O)C1=CC=C(C(F)(F)F)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835996 |
