| SpectraBase Compound ID | JNxXloK5fBP |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-9(2)11(13)8-12(14)10-6-4-3-5-7-10/h3-7,9,11-14H,8H2,1-2H3/t11-,12+/m1/s1 |
| InChIKey | UWPRWQABFOJVSG-NEPJUHHUSA-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 | 1SDV7Ex5VHF |
|---|---|
| Name | (1S,3R)-4-Methyl-1-phenyl-pentane-1,3-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/c1-9(2)11(13)8-12(14)10-6-4-3-5-7-10/h3-7,9,11-14H,8H2,1-2H3/t11-,12+/m1/s1 |
| InChIKey | UWPRWQABFOJVSG-NEPJUHHUSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C([C@@](C=1C=CC=CC1)(O)[H])[C@](C(C)C)(O)[H] |