| SpectraBase Spectrum ID |
KMDAqyUw3WB |
| Name |
Benzoic acid, 2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-, (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.071114081 u |
| Formula |
C16H11F3O2 |
| InChI |
InChI=1S/C16H11F3O2/c17-16(18,19)13-6-3-4-11(10-13)8-9-12-5-1-2-7-14(12)15(20)21/h1-10H,(H,20,21)/b9-8- |
| InChIKey |
GKQXQXOACZNWRL-HJWRWDBZSA-N |
| Molecular Weight |
292.257 g/mol |
| SMILES |
OC(C=1C(\C=C/C2=CC=CC(=C2)C(F)(F)F)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.803387 |
![Benzoic acid, 2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-, (Z)-](/api/spectrum/KMDAqyUw3WB/structure.png?h=300&w=458 "Benzoic acid, 2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-, (Z)-")
