| SpectraBase Compound ID | 6LKdvn4ZjoA |
|---|---|
| InChI | InChI=1S/C16H24O4/c1-12(5-4-6-15(17)19-2)11-13-7-9-14(10-8-13)16(18)20-3/h7,14H,1,4-6,8-11H2,2-3H3 |
| InChIKey | QTOBIDVSYNZMPI-UHFFFAOYSA-N |
| Mol Weight | 280.36 g/mol |
| Molecular Formula | C16H24O4 |
| Exact Mass | 280.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wEBAdXPAes |
|---|---|
| Name | Hexanoic acid, 5-methylene-6-(4-methoxycarbonyl-1-cyclohexenyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.167459249 u |
| Formula | C16H24O4 |
| InChI | InChI=1S/C16H24O4/c1-12(5-4-6-15(17)19-2)11-13-7-9-14(10-8-13)16(18)20-3/h7,14H,1,4-6,8-11H2,2-3H3 |
| InChIKey | QTOBIDVSYNZMPI-UHFFFAOYSA-N |
| SMILES | C(=O)(C1CC=C(CC(=C)CCCC(=O)OC)CC1)OC |