| SpectraBase Spectrum ID |
BSkjkstNhln |
| Name |
(Z)-2-(Chloromethyl)-3-[4-(trifluoromethyl)phenyl]-2-propenoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.047791813 u |
| Formula |
C13H12ClF3O2 |
| InChI |
InChI=1S/C13H12ClF3O2/c1-2-19-12(18)10(8-14)7-9-3-5-11(6-4-9)13(15,16)17/h3-7H,2,8H2,1H3/b10-7+ |
| InChIKey |
XFNHHGWKVQPLTH-JXMROGBWSA-N |
| Molecular Weight |
292.685 g/mol |
| SMILES |
C(\C(=C\C=1C=CC(=CC1)C(F)(F)F)CCl)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95645 |
![(Z)-2-(chloromethyl)-3-[4-(trifluoromethyl)phenyl]-2-propenoic acid ethyl ester](/api/spectrum/BSkjkstNhln/structure.png?h=300&w=458 "(Z)-2-(chloromethyl)-3-[4-(trifluoromethyl)phenyl]-2-propenoic acid ethyl ester")
