| SpectraBase Compound ID | Kpfe2pNJvi2 |
|---|---|
| InChI | InChI=1S/C15H17F3/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16,17)18/h9-12H,2-6H2,1H3 |
| InChIKey | LCOWMGPMAGAFDK-UHFFFAOYSA-N |
| Mol Weight | 254.3 g/mol |
| Molecular Formula | C15H17F3 |
| Exact Mass | 254.128235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GcGN0r965W |
|---|---|
| Name | 1-(oct-1'-Ynyl)-4-(trifluoromethyl)-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.128235036 u |
| Formula | C15H17F3 |
| InChI | InChI=1S/C15H17F3/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16,17)18/h9-12H,2-6H2,1H3 |
| InChIKey | LCOWMGPMAGAFDK-UHFFFAOYSA-N |
| Molecular Weight | 254.296 g/mol |
| SMILES | C=1(C=CC(=CC1)C#CCCCCCC)C(F)(F)F |