| SpectraBase Compound ID | 4sFJgZGAdEq |
|---|---|
| InChI | InChI=1S/C10H16O3/c1-8(2)5-4-6-9(11)7-10(12)13-3/h1,4-7H2,2-3H3 |
| InChIKey | KPJBPSFQKXOUSJ-UHFFFAOYSA-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 | 17y7WdzS4MB |
|---|---|
| Name | 7-Octenoic acid, 7-methyl-3-oxo-, methyl ester |
| 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/c1-8(2)5-4-6-9(11)7-10(12)13-3/h1,4-7H2,2-3H3 |
| InChIKey | KPJBPSFQKXOUSJ-UHFFFAOYSA-N |
| Molecular Weight | 184.235 g/mol |
| SMILES | C(C(=O)OC)C(=O)CCCC(=C)C |