| SpectraBase Compound ID | 5jLDKsA3FEa |
|---|---|
| InChI | InChI=1S/C9H6F4/c10-8-4-2-1-3-7(8)5-6-9(11,12)13/h1-6H/b6-5+ |
| InChIKey | QOCUEIPQSHKUOZ-AATRIKPKSA-N |
| Mol Weight | 190.14 g/mol |
| Molecular Formula | C9H6F4 |
| Exact Mass | 190.040563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9RHwGxeZuk5 |
|---|---|
| Name | (E)-1-Fluoro-2-(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 | 190.040562845 u |
| Formula | C9H6F4 |
| InChI | InChI=1S/C9H6F4/c10-8-4-2-1-3-7(8)5-6-9(11,12)13/h1-6H/b6-5+ |
| InChIKey | QOCUEIPQSHKUOZ-AATRIKPKSA-N |
| Molecular Weight | 190.141 g/mol |
| SMILES | C(\C=C\C=1C=CC=CC1F)(F)(F)F |