| SpectraBase Compound ID | 1AX7rdPCCMf |
|---|---|
| InChI | InChI=1S/C14H26O2/c1-3-6-12(2)11-16-14(15)10-9-13-7-4-5-8-13/h12-13H,3-11H2,1-2H3 |
| InChIKey | MGFKGBKGQDWMBS-UHFFFAOYSA-N |
| Mol Weight | 226.36 g/mol |
| Molecular Formula | C14H26O2 |
| Exact Mass | 226.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CHTYm5xrHB1 |
|---|---|
| Name | 3-Cyclopentylpropionic acid, 2-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.193280075 u |
| Formula | C14H26O2 |
| InChI | InChI=1S/C14H26O2/c1-3-6-12(2)11-16-14(15)10-9-13-7-4-5-8-13/h12-13H,3-11H2,1-2H3 |
| InChIKey | MGFKGBKGQDWMBS-UHFFFAOYSA-N |
| Molecular Weight | 226.360 g/mol |
| SMILES | C1(CCCC1)CCC(=O)OCC(CCC)C |