| SpectraBase Compound ID | 5SseGQZGuIn |
|---|---|
| InChI | InChI=1S/C10H22O2/c1-8(2)10(7-12)5-4-9(3)6-11/h8-12H,4-7H2,1-3H3 |
| InChIKey | IAGGSPAIMSHHDN-UHFFFAOYSA-N |
| Mol Weight | 174.28 g/mol |
| Molecular Formula | C10H22O2 |
| Exact Mass | 174.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 18Sw7MHkkty |
|---|---|
| Name | 2-Isopropyl-5-methylhexane-1,6-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.161979946 u |
| Formula | C10H22O2 |
| InChI | InChI=1S/C10H22O2/c1-8(2)10(7-12)5-4-9(3)6-11/h8-12H,4-7H2,1-3H3 |
| InChIKey | IAGGSPAIMSHHDN-UHFFFAOYSA-N |
| Molecular Weight | 174.284 g/mol |
| SMILES | C(C(CCC(CO)C)C(C)C)O |