| SpectraBase Spectrum ID |
CzpRVk1WEJu |
| Name |
Ethyl (Z)-and (E)-2,4,4,4-tetrafluoro-3-(3-(trifluoro-methyl)phenyl)but-2-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.049076669 u |
| Formula |
C13H9F7O2 |
| InChI |
InChI=1S/C13H9F7O2/c1-2-22-11(21)10(14)9(13(18,19)20)7-4-3-5-8(6-7)12(15,16)17/h3-6H,2H2,1H3/b10-9- |
| InChIKey |
AKVGREFKKDRIDL-KTKRTIGZSA-N |
| Molecular Weight |
330.202 g/mol |
| SMILES |
C(\C(=C/(C=1C=CC=C(C1)C(F)(F)F)C(F)(F)F)F)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817535 |
