| SpectraBase Compound ID | 18cbUIN7poV |
|---|---|
| InChI | InChI=1S/C10H16O3/c1-7(2)10(12)8(3)5-6-9(11)13-4/h5,7H,6H2,1-4H3/b8-5+ |
| InChIKey | KLKSCOLWQVUDHI-VMPITWQZSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C10H16O3 |
| Exact Mass | 184.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vV5hvzOX5r |
|---|---|
| Name | 3-Heptenoic acid, 4,6-dimethyl-5-oxo-, methyl ester, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.109944372 u |
| Formula | C10H16O3 |
| InChI | InChI=1S/C10H16O3/c1-7(2)10(12)8(3)5-6-9(11)13-4/h5,7H,6H2,1-4H3/b8-5+ |
| InChIKey | KLKSCOLWQVUDHI-VMPITWQZSA-N |
| Molecular Weight | 184.235 g/mol |
| SMILES | C(\C(=C\CC(=O)OC)C)(=O)C(C)C |