| SpectraBase Compound ID | 2OrgujfKyGA |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-10(12(14)9-13)7-8-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+/m1/s1 |
| InChIKey | DXIOKTZGODLMSR-PWSUYJOCSA-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 | BgkDTLMHsCs |
|---|---|
| Name | (2R,3R)-3-Methyl-5-phenylpentane-1,2-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/c1-10(12(14)9-13)7-8-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+/m1/s1 |
| InChIKey | DXIOKTZGODLMSR-PWSUYJOCSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C([C@]([C@@](O)(CO)[H])(C)[H])CC1=CC=CC=C1 |