| SpectraBase Compound ID | LTElRF0FICJ |
|---|---|
| InChI | InChI=1S/C14H26O2/c1-5-6-7-8-9-10-14(15)16-13(4)11-12(2)3/h8-9,12-13H,5-7,10-11H2,1-4H3/b9-8+ |
| InChIKey | HCTGXNACTPGUST-CMDGGOBGSA-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 | 8dlRgve11sR |
|---|---|
| Name | 3-Octenoic acid, 4-methyl-2-pentyl 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/c1-5-6-7-8-9-10-14(15)16-13(4)11-12(2)3/h8-9,12-13H,5-7,10-11H2,1-4H3/b9-8+ |
| InChIKey | HCTGXNACTPGUST-CMDGGOBGSA-N |
| Molecular Weight | 226.360 g/mol |
| SMILES | C(\C=C\CCCC)C(OC(CC(C)C)C)=O |