| SpectraBase Compound ID | 6LiwsSLCZsl |
|---|---|
| InChI | InChI=1S/C13H24O3/c1-13(2)15-9-12(16-13)11(14)8-10-6-4-3-5-7-10/h10-12,14H,3-9H2,1-2H3/t11-,12-/m1/s1 |
| InChIKey | BNTKSXPJVZICCI-VXGBXAGGSA-N |
| Mol Weight | 228.33 g/mol |
| Molecular Formula | C13H24O3 |
| Exact Mass | 228.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GkZF46EYgmT |
|---|---|
| Name | (2R,3R)-1,2-o-(Methylethylidene)-4-cyclohexylbutane-1,2,3-triol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.172544630 u |
| Formula | C13H24O3 |
| InChI | InChI=1S/C13H24O3/c1-13(2)15-9-12(16-13)11(14)8-10-6-4-3-5-7-10/h10-12,14H,3-9H2,1-2H3/t11-,12-/m1/s1 |
| InChIKey | BNTKSXPJVZICCI-VXGBXAGGSA-N |
| Molecular Weight | 228.332 g/mol |
| SMILES | C1(O[C@](CO1)([C@@](CC1CCCCC1)(O)[H])[H])(C)C |