| SpectraBase Compound ID | FkpMQ69m4AF |
|---|---|
| InChI | InChI=1S/C17H12F3NO/c1-22-16-8-2-12(3-9-16)10-14(11-21)13-4-6-15(7-5-13)17(18,19)20/h2-10H,1H3/b14-10+ |
| InChIKey | FTRARAUNQBHRLP-GXDHUFHOSA-N |
| Mol Weight | 303.28 g/mol |
| Molecular Formula | C17H12F3NO |
| Exact Mass | 303.087098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | vMCchzJRbJ |
|---|---|
| Name | Z-2-(4-Trifluoromethylphenyl)-3-(4-methoxyphenyl)acrylonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.087098498 u |
| Formula | C17H12F3NO |
| InChI | InChI=1S/C17H12F3NO/c1-22-16-8-2-12(3-9-16)10-14(11-21)13-4-6-15(7-5-13)17(18,19)20/h2-10H,1H3/b14-10+ |
| InChIKey | FTRARAUNQBHRLP-GXDHUFHOSA-N |
| Molecular Weight | 303.284 g/mol |
| SMILES | C(\C(=C/C=1C=CC(=CC1)OC)C=1C=CC(=CC1)C(F)(F)F)#N |