| SpectraBase Compound ID | 3jT0m7BFWhN |
|---|---|
| InChI | InChI=1S/C13H17F3O2/c1-2-3-4-9-17-10-11-5-7-12(8-6-11)18-13(14,15)16/h5-8H,2-4,9-10H2,1H3 |
| InChIKey | KQTKZSSPFFVFNB-UHFFFAOYSA-N |
| Mol Weight | 262.27 g/mol |
| Molecular Formula | C13H17F3O2 |
| Exact Mass | 262.118064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bh7kuQaKCLV |
|---|---|
| Name | 4-(Trifluoromethyl)benzyl alcohol, N-pentyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.118064274 u |
| Formula | C13H17F3O2 |
| InChI | InChI=1S/C13H17F3O2/c1-2-3-4-9-17-10-11-5-7-12(8-6-11)18-13(14,15)16/h5-8H,2-4,9-10H2,1H3 |
| InChIKey | KQTKZSSPFFVFNB-UHFFFAOYSA-N |
| Molecular Weight | 262.272 g/mol |
| SMILES | C1=CC(=CC=C1COCCCCC)OC(F)(F)F |