| SpectraBase Compound ID | Db3drqg9EcV |
|---|---|
| InChI | InChI=1S/C8H18O2/c1-6(9)5-7(10)8(2,3)4/h6-7,9-10H,5H2,1-4H3/t6-,7-/m0/s1 |
| InChIKey | MTPUFPIZVDRORX-BQBZGAKWSA-N |
| Mol Weight | 146.23 g/mol |
| Molecular Formula | C8H18O2 |
| Exact Mass | 146.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ANqI0ZwF2e |
|---|---|
| Name | (2S,4S)-5,5-Dimethylhexane-2,4-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.130679818 u |
| Formula | C8H18O2 |
| InChI | InChI=1S/C8H18O2/c1-6(9)5-7(10)8(2,3)4/h6-7,9-10H,5H2,1-4H3/t6-,7-/m0/s1 |
| InChIKey | MTPUFPIZVDRORX-BQBZGAKWSA-N |
| Molecular Weight | 146.230 g/mol |
| SMILES | C([C@@](C(C)(C)C)(O)[H])[C@@](O)(C)[H] |