| SpectraBase Spectrum ID |
CEqB8NkYPyq |
| Name |
(E)-1,1,1,6,6,6-Hexafluoro-2,5-di-p-methoxycarbonylphenyl-2,3,4-hexatriene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.079627905 u |
| Formula |
C22H14F6O4 |
| InChI |
InChI=1S/C22H14F6O4/c1-31-19(29)15-7-3-13(4-8-15)17(21(23,24)25)11-12-18(22(26,27)28)14-5-9-16(10-6-14)20(30)32-2/h3-10H,1-2H3/b18-17+ |
| InChIKey |
GXIHVJAOQNKGLY-ISLYRVAYSA-N |
| Molecular Weight |
456.340 g/mol |
| SMILES |
\C(=C=C=C/(C(F)(F)F)C1=CC=C(C(=O)OC)C=C1)(C(F)(F)F)C=1C=CC(C(=O)OC)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898443 |
