![1,4-Bis[(E)-3,3,3-trifluoropropenyl]benzene](/api/spectrum/JjSmHoEF9TQ/structure.png?h=300&w=458 "1,4-Bis[(E)-3,3,3-trifluoropropenyl]benzene")
| SpectraBase Compound ID | 2QEGJ7pPs9Z |
|---|---|
| InChI | InChI=1S/C12H8F6/c13-11(14,15)7-5-9-1-2-10(4-3-9)6-8-12(16,17)18/h1-8H/b7-5+,8-6+ |
| InChIKey | IWGPEUZKRDKADE-KQQUZDAGSA-N |
| Mol Weight | 266.19 g/mol |
| Molecular Formula | C12H8F6 |
| Exact Mass | 266.053019 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JjSmHoEF9TQ |
|---|---|
| Name | 1,4-bis[(E)-3,3,3-Trifluoropropenyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.053019236 u |
| Formula | C12H8F6 |
| InChI | InChI=1S/C12H8F6/c13-11(14,15)7-5-9-1-2-10(4-3-9)6-8-12(16,17)18/h1-8H/b7-5+,8-6+ |
| InChIKey | IWGPEUZKRDKADE-KQQUZDAGSA-N |
| Molecular Weight | 266.186 g/mol |
| SMILES | C(\C=C\C=1C=CC(\C=C\C(F)(F)F)=CC1)(F)(F)F |