| SpectraBase Compound ID | GjfPHvlnKQm |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-4-8(2)6-5-7-11-9(3)10/h8H,4-7H2,1-3H3 |
| InChIKey | CRMWYQVLRHKJMK-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Acj7v01ztu |
|---|---|
| Name | 1-Hexanol, 4-methyl-, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.130679818 u |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-4-8(2)6-5-7-11-9(3)10/h8H,4-7H2,1-3H3 |
| InChIKey | CRMWYQVLRHKJMK-UHFFFAOYSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | CC(CCCOC(C)=O)CC |