| SpectraBase Spectrum ID |
FzdrOPhVpvJ |
| Name |
3-Trifluoromethylcinnamic acid, 2-chlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.032141749 u |
| Formula |
C16H10ClF3O2 |
| InChI |
InChI=1S/C16H10ClF3O2/c17-13-6-1-2-7-14(13)22-15(21)9-8-11-4-3-5-12(10-11)16(18,19)20/h1-10H/b9-8+ |
| InChIKey |
KBHSDKMMEATZAF-CMDGGOBGSA-N |
| Molecular Weight |
326.702 g/mol |
| SMILES |
C1(\C=C\C(OC2=CC=CC=C2Cl)=O)=CC=CC(=C1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889686 |
