![1-[(E)-pent-1-enyl]-4-(trifluoromethyl)benzene](/api/spectrum/JS8OkRPGHxU/structure.png?h=300&w=458 "1-[(E)-pent-1-enyl]-4-(trifluoromethyl)benzene")
| SpectraBase Compound ID | 9MVicgldrlZ |
|---|---|
| InChI | InChI=1S/C12H13F3/c1-2-3-4-5-10-6-8-11(9-7-10)12(13,14)15/h4-9H,2-3H2,1H3/b5-4+ |
| InChIKey | YDLVXUCBMWDGIQ-SNAWJCMRSA-N |
| Mol Weight | 214.23 g/mol |
| Molecular Formula | C12H13F3 |
| Exact Mass | 214.096935 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JS8OkRPGHxU |
|---|---|
| Name | 1-[(E)-Pent-1-enyl]-4-(trifluoromethyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.096934908 u |
| Formula | C12H13F3 |
| InChI | InChI=1S/C12H13F3/c1-2-3-4-5-10-6-8-11(9-7-10)12(13,14)15/h4-9H,2-3H2,1H3/b5-4+ |
| InChIKey | YDLVXUCBMWDGIQ-SNAWJCMRSA-N |
| Molecular Weight | 214.231 g/mol |
| SMILES | C(\C=C\C=1C=CC(=CC1)C(F)(F)F)CC |