| SpectraBase Spectrum ID |
GG4KgWFqvcV |
| Name |
1,3-Benzenediol, o,o'-di(3-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)15-6-1-4-13(10-15)19(29)31-17-8-3-9-18(12-17)32-20(30)14-5-2-7-16(11-14)22(26,27)28/h1-12H |
| InChIKey |
RUWZOPIZDVCWRM-UHFFFAOYSA-N |
| Molecular Weight |
454.324 g/mol |
| SMILES |
C1=C(C=CC=C1OC(=O)C1=CC(C(F)(F)F)=CC=C1)OC(=O)C1=CC(=CC=C1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802193 |
