| SpectraBase Spectrum ID |
6azQUi27hbR |
| Name |
(Z)-Ethyl 2-chloro-3-(4-trifluoromethylphenyl)prop-2-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.032141749 u |
| Formula |
C12H10ClF3O2 |
| InChI |
InChI=1S/C12H10ClF3O2/c1-2-18-11(17)10(13)7-8-3-5-9(6-4-8)12(14,15)16/h3-7H,2H2,1H3/b10-7- |
| InChIKey |
DJCHTUJWZBMTJA-YFHOEESVSA-N |
| Molecular Weight |
278.658 g/mol |
| SMILES |
C(C1=CC=C(\C=C\(C(=O)OCC)Cl)C=C1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829202 |
