| SpectraBase Spectrum ID |
8Ooy5mIK9O9 |
| Name |
Trans-3-trifluoromethylcinnamic acid, 4-cyanophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.066363053 u |
| Formula |
C17H10F3NO2 |
| InChI |
InChI=1S/C17H10F3NO2/c18-17(19,20)14-3-1-2-12(10-14)6-9-16(22)23-15-7-4-13(11-21)5-8-15/h1-10H/b9-6+ |
| InChIKey |
HNVHKGKHGLQQMO-RMKNXTFCSA-N |
| Molecular Weight |
317.267 g/mol |
| SMILES |
C1(=CC=CC(=C1)\C=C\C(OC1=CC=C(C=C1)C#N)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834255 |
