| SpectraBase Compound ID | K7sLTMW9mdj |
|---|---|
| InChI | InChI=1S/C10H9F3/c1-8-2-4-9(5-3-8)6-7-10(11,12)13/h2-7H,1H3/b7-6+ |
| InChIKey | JIJKFYUUYNFZQK-VOTSOKGWSA-N |
| Mol Weight | 186.18 g/mol |
| Molecular Formula | C10H9F3 |
| Exact Mass | 186.065635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FfdTucwvgXC |
|---|---|
| Name | (E)-1-Methyl-4-(3,3,3-trifluoroprop-1-en-1-yl)-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.065634779 u |
| Formula | C10H9F3 |
| InChI | InChI=1S/C10H9F3/c1-8-2-4-9(5-3-8)6-7-10(11,12)13/h2-7H,1H3/b7-6+ |
| InChIKey | JIJKFYUUYNFZQK-VOTSOKGWSA-N |
| Molecular Weight | 186.177 g/mol |
| SMILES | C(F)(\C=C\C1=CC=C(C=C1)C)(F)F |