| SpectraBase Spectrum ID |
GmrSXqItRPr |
| Name |
(E)-4,4,5,5,6,6,6-Heptafluoro-2-methyl-2-hexenoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.033426604 u |
| Formula |
C8H7F7O2 |
| InChI |
InChI=1S/C8H7F7O2/c1-4(5(16)17-2)3-6(9,10)7(11,12)8(13,14)15/h3H,1-2H3/b4-3+ |
| InChIKey |
LRMSPWCOOHABFD-ONEGZZNKSA-N |
| Molecular Weight |
268.131 g/mol |
| SMILES |
C(C(\C=C\(C(=O)OC)C)(F)F)(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951281 |
