| SpectraBase Spectrum ID |
9rWbZJcJiR9 |
| Name |
1,2-Benzenediol, o-(2-methylbenzoyl)-o'-(trans-3-trifluoromethylcinnamoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.107893512 u |
| Formula |
C24H17F3O4 |
| InChI |
InChI=1S/C24H17F3O4/c1-16-7-2-3-10-19(16)23(29)31-21-12-5-4-11-20(21)30-22(28)14-13-17-8-6-9-18(15-17)24(25,26)27/h2-15H,1H3/b14-13+ |
| InChIKey |
PWIUVVVTUVROJS-BUHFOSPRSA-N |
| Molecular Weight |
426.391 g/mol |
| SMILES |
CC1=CC=CC=C1C(OC=1C(=CC=CC1)OC(\C=C\C1=CC=CC(=C1)C(F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947126 |
