| SpectraBase Compound ID | 2OilD2FJ3sZ |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-2-11(13)12(14)9-8-10-6-4-3-5-7-10/h3-7,11-14H,2,8-9H2,1H3/t11-,12-/m1/s1 |
| InChIKey | JRJFROPHIXQTEY-VXGBXAGGSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUyDvhBXfBn |
|---|---|
| Name | 1-Phenylhexane-3,4-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-2-11(13)12(14)9-8-10-6-4-3-5-7-10/h3-7,11-14H,2,8-9H2,1H3/t11-,12-/m1/s1 |
| InChIKey | JRJFROPHIXQTEY-VXGBXAGGSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | CC[C@]([C@@](CCC1=CC=CC=C1)(O)[H])(O)[H] |