| SpectraBase Compound ID | 1H2J2VDirT9 |
|---|---|
| InChI | InChI=1S/C16H24O3/c1-12(7-8-14(17)19-4)9-11-16(3)10-5-6-13(2)15(16)18/h6,9H,5,7-8,10-11H2,1-4H3 |
| InChIKey | QPGNOJFSNSITAH-UHFFFAOYSA-N |
| Mol Weight | 264.36 g/mol |
| Molecular Formula | C16H24O3 |
| Exact Mass | 264.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JiKZWXG9geh |
|---|---|
| Name | Methyl 6-(1,3-dimethyl-2-oxocyclohex-3-en-1-yl)-4-methylhex-4-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.172544630 u |
| Formula | C16H24O3 |
| InChI | InChI=1S/C16H24O3/c1-12(7-8-14(17)19-4)9-11-16(3)10-5-6-13(2)15(16)18/h6,9H,5,7-8,10-11H2,1-4H3 |
| InChIKey | QPGNOJFSNSITAH-UHFFFAOYSA-N |
| Molecular Weight | 264.365 g/mol |
| SMILES | C(CC\C(=C/CC1(C(C(=CCC1)C)=O)C)C)(=O)OC |