| SpectraBase Compound ID | 4gwdwovcPro |
|---|---|
| InChI | InChI=1S/C13H15F3O2/c14-13(15,16)11-7-5-10(6-8-11)12(18)4-2-1-3-9-17/h5-9,12,18H,1-4H2 |
| InChIKey | LXJCLNCNINROAD-UHFFFAOYSA-N |
| Mol Weight | 260.26 g/mol |
| Molecular Formula | C13H15F3O2 |
| Exact Mass | 260.102414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4fyAC9OJT0o |
|---|---|
| Name | 6-Hydroxy-6-[4-(trifluoromethyl)phenyl]hexanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.102414210 u |
| Formula | C13H15F3O2 |
| InChI | InChI=1S/C13H15F3O2/c14-13(15,16)11-7-5-10(6-8-11)12(18)4-2-1-3-9-17/h5-9,12,18H,1-4H2 |
| InChIKey | LXJCLNCNINROAD-UHFFFAOYSA-N |
| Molecular Weight | 260.256 g/mol |
| SMILES | C=1C=C(C(CCCCC=O)O)C=CC1C(F)(F)F |