| SpectraBase Compound ID | 7WeAZrxxhZu |
|---|---|
| InChI | InChI=1S/C13H24O2/c1-5-6-7-8-9-13(14)15-12(4)10-11(2)3/h8-9,11-12H,5-7,10H2,1-4H3/b9-8+ |
| InChIKey | JPSUTLBTGVSEDA-CMDGGOBGSA-N |
| Mol Weight | 212.33 g/mol |
| Molecular Formula | C13H24O2 |
| Exact Mass | 212.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 11eZdTFkeAE |
|---|---|
| Name | 2-Heptenoic acid, 4-methyl-2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.177630011 u |
| Formula | C13H24O2 |
| InChI | InChI=1S/C13H24O2/c1-5-6-7-8-9-13(14)15-12(4)10-11(2)3/h8-9,11-12H,5-7,10H2,1-4H3/b9-8+ |
| InChIKey | JPSUTLBTGVSEDA-CMDGGOBGSA-N |
| Molecular Weight | 212.333 g/mol |
| SMILES | C(\C=C\C(OC(C)CC(C)C)=O)CCC |