| SpectraBase Spectrum ID |
7mUV8ju9m5Y |
| Name |
1,2-Benzendiol, o-phenylacetyl-o'-(4-trifluoromethylbenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.092243448 u |
| Formula |
C22H15F3O4 |
| InChI |
InChI=1S/C22H15F3O4/c23-22(24,25)17-12-10-16(11-13-17)21(27)29-19-9-5-4-8-18(19)28-20(26)14-15-6-2-1-3-7-15/h1-13H,14H2 |
| InChIKey |
HQAHLHDYCISQSC-UHFFFAOYSA-N |
| Molecular Weight |
400.353 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)C1=CC=C(C(F)(F)F)C=C1)OC(CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962869 |
