| SpectraBase Spectrum ID |
DRCi7z1DUZ8 |
| Name |
2-[(E)-but-2-Enoxy]-2-chloro-3,3,3-trifluoro-propionic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.042706432 u |
| Formula |
C9H12ClF3O3 |
| InChI |
InChI=1S/C9H12ClF3O3/c1-3-5-6-16-8(10,9(11,12)13)7(14)15-4-2/h3,5H,4,6H2,1-2H3/b5-3+ |
| InChIKey |
LWRLPCKZIAFGEM-HWKANZROSA-N |
| Molecular Weight |
260.640 g/mol |
| SMILES |
C(C(F)(F)F)(C(=O)OCC)(Cl)OC\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871113 |
![2-[(E)-but-2-enoxy]-2-chloro-3,3,3-trifluoro-propionic acid ethyl ester](/api/spectrum/DRCi7z1DUZ8/structure.png?h=300&w=458 "2-[(E)-but-2-enoxy]-2-chloro-3,3,3-trifluoro-propionic acid ethyl ester")
