| SpectraBase Compound ID | CcGS6bmKcud |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-4-5-6-9-13-11(12)8-7-10(2)3/h10H,4-9H2,1-3H3 |
| InChIKey | ZOEZQOYTJSALQT-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 | 8SylNLmPOOo |
|---|---|
| Name | Pentanoic acid, 4-methyl-, 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/c1-4-5-6-9-13-11(12)8-7-10(2)3/h10H,4-9H2,1-3H3 |
| InChIKey | ZOEZQOYTJSALQT-UHFFFAOYSA-N |
| Molecular Weight | 186.295 g/mol |
| SMILES | C(C(OCCCCC)=O)CC(C)C |