| SpectraBase Spectrum ID |
hVa2DS85LM |
| Name |
(E)-4,4,5,5,6,6,6-Heptafluoro-1-(4-methoxyphenyl)-2-methyl-1-hexen-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.080376798 u |
| Formula |
C14H13F7O2 |
| InChI |
InChI=1S/C14H13F7O2/c1-8(7-9-3-5-10(23-2)6-4-9)11(22)12(15,16)13(17,18)14(19,20)21/h3-7,11,22H,1-2H3/b8-7+ |
| InChIKey |
ASHUNNWQAWWWRK-BQYQJAHWSA-N |
| Molecular Weight |
346.245 g/mol |
| SMILES |
C(C(C(F)(F)F)(F)F)(C(\C(=C\C=1C=CC(=CC1)OC)C)O)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894017 |
