| SpectraBase Compound ID | 6bmugWTeyS |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-4-7-8-9-11(12)13-10(5-2)6-3/h10H,4-9H2,1-3H3 |
| InChIKey | JUEZMAWWHGUFNG-UHFFFAOYSA-N |
| Mol Weight | 186.29 g/mol |
| Molecular Formula | C11H22O2 |
| Exact Mass | 186.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CD1HzzQ9uoZ |
|---|---|
| Name | Hexanoic acid, 3-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.161979946 u |
| Formula | C11H22O2 |
| InChI | InChI=1S/C11H22O2/c1-4-7-8-9-11(12)13-10(5-2)6-3/h10H,4-9H2,1-3H3 |
| InChIKey | JUEZMAWWHGUFNG-UHFFFAOYSA-N |
| Molecular Weight | 186.295 g/mol |
| SMILES | C(=O)(OC(CC)CC)CCCCC |