| SpectraBase Spectrum ID |
KDf3jjlnlTq |
| Name |
1,3-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/c1-16-6-2-3-11-21(16)23(29)31-20-10-5-9-19(15-20)30-22(28)13-12-17-7-4-8-18(14-17)24(25,26)27/h2-15H,1H3/b13-12+ |
| InChIKey |
NTTRLFLIJOMZGE-OUKQBFOZSA-N |
| Molecular Weight |
426.391 g/mol |
| SMILES |
C1=C(C=CC=C1OC(=O)\C=C\C1=CC(C(F)(F)F)=CC=C1)OC(=O)C1=C(C=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939957 |
