| SpectraBase Compound ID | 9isVku2pvZY |
|---|---|
| InChI | InChI=1S/C7H16O/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3 |
| InChIKey | OWCNPTHAWPMOJU-UHFFFAOYSA-N |
| Mol Weight | 116.2 g/mol |
| Molecular Formula | C7H16O |
| Exact Mass | 116.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 347vE3jnf6t |
|---|---|
| Name | 1-Pentanol, 4,4-dimethyl-; 4,4-dimethyl-1-pentanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.120115134 u |
| Formula | C7H16O |
| InChI | InChI=1S/C7H16O/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3 |
| InChIKey | OWCNPTHAWPMOJU-UHFFFAOYSA-N |
| Molecular Weight | 116.204 g/mol |
| SMILES | OCCCC(C)(C)C |