| SpectraBase Compound ID | 3D75PgtmNq3 |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-4-9(5-8(2)3)6-11-7-10/h7-9H,4-6H2,1-3H3 |
| InChIKey | GYIVJTVCJIDNQI-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 | 11WUWea1PWU |
|---|---|
| Name | 2-Ethyl-4-methyl-1-pentanol, formate |
| 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/c1-4-9(5-8(2)3)6-11-7-10/h7-9H,4-6H2,1-3H3 |
| InChIKey | GYIVJTVCJIDNQI-UHFFFAOYSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | CC(CC(COC=O)CC)C |