| SpectraBase Compound ID | wbgNO0wmjW |
|---|---|
| InChI | InChI=1S/C8H18O3/c1-8(2,3)7(11)4-6(10)5-9/h6-7,9-11H,4-5H2,1-3H3/t6-,7+/m1/s1 |
| InChIKey | QLSOOCKESYOANY-RQJHMYQMSA-N |
| Mol Weight | 162.23 g/mol |
| Molecular Formula | C8H18O3 |
| Exact Mass | 162.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8D3iS85ETUA |
|---|---|
| Name | (2R,4S)-5,5-Dimethyl-1,2,4-hexantriol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.125594437 u |
| Formula | C8H18O3 |
| InChI | InChI=1S/C8H18O3/c1-8(2,3)7(11)4-6(10)5-9/h6-7,9-11H,4-5H2,1-3H3/t6-,7+/m1/s1 |
| InChIKey | QLSOOCKESYOANY-RQJHMYQMSA-N |
| Molecular Weight | 162.229 g/mol |
| SMILES | C([C@@](C(C)(C)C)(O)[H])[C@@](O)(CO)[H] |