| SpectraBase Compound ID | A9jmL4MVacr |
|---|---|
| InChI | InChI=1S/C13H28O2/c1-10(2)7-11(8-12(3,4)14)9-13(5,6)15/h10-11,14-15H,7-9H2,1-6H3 |
| InChIKey | XUPLBNKYTFQEER-UHFFFAOYSA-N |
| Mol Weight | 216.36 g/mol |
| Molecular Formula | C13H28O2 |
| Exact Mass | 216.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ngZ1VCto9t |
|---|---|
| Name | 2,6-Dimethyl-4-(2-methylpropyl)heptane-2,6-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.208930140 u |
| Formula | C13H28O2 |
| InChI | InChI=1S/C13H28O2/c1-10(2)7-11(8-12(3,4)14)9-13(5,6)15/h10-11,14-15H,7-9H2,1-6H3 |
| InChIKey | XUPLBNKYTFQEER-UHFFFAOYSA-N |
| Molecular Weight | 216.365 g/mol |
| SMILES | C(CC(O)(C)C)(CC(O)(C)C)CC(C)C |