| SpectraBase Spectrum ID |
zoEmSt7PmM |
| Name |
1,2-Benzenediol, o,o'-di(2-(trifluoromethyl)benzoyl)- |
| 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)15-9-3-1-7-13(15)19(29)31-17-11-5-6-12-18(17)32-20(30)14-8-2-4-10-16(14)22(26,27)28/h1-12H |
| InChIKey |
XZZGRGNDVDANHR-UHFFFAOYSA-N |
| Molecular Weight |
454.324 g/mol |
| SMILES |
C1=CC=C(C(=C1)C(F)(F)F)C(OC1=CC=CC=C1OC(C1=C(C=CC=C1)C(F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86442 |
