| SpectraBase Spectrum ID |
E8dn9ujcLf0 |
| Name |
1,2-Benzenediol, o-(trans-3-trifluoromethylcinnamoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.066028700 u |
| Formula |
C16H11F3O3 |
| InChI |
InChI=1S/C16H11F3O3/c17-16(18,19)12-5-3-4-11(10-12)8-9-15(21)22-14-7-2-1-6-13(14)20/h1-10,20H/b9-8+ |
| InChIKey |
PJPWSQCBJXKAKF-CMDGGOBGSA-N |
| Molecular Weight |
308.256 g/mol |
| SMILES |
C(C1=CC=CC(=C1)\C=C\C(OC1=CC=CC=C1O)=O)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929351 |
