![2-[1-(2-Oxocyclohexyl)but-3-en-2-yl]propanedioic acid dimethyl ester](/api/spectrum/63KFpGKael7/structure.png?h=300&w=458 "2-[1-(2-Oxocyclohexyl)but-3-en-2-yl]propanedioic acid dimethyl ester")
| SpectraBase Compound ID | 7Mtl1QRCPH2 |
|---|---|
| InChI | InChI=1S/C15H22O5/c1-4-10(9-11-7-5-6-8-12(11)16)13(14(17)19-2)15(18)20-3/h4,10-11,13H,1,5-9H2,2-3H3 |
| InChIKey | COGMDNUOPLUUQU-UHFFFAOYSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C15H22O5 |
| Exact Mass | 282.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 63KFpGKael7 |
|---|---|
| Name | 2-[1-(2-Oxocyclohexyl)but-3-en-2-yl]propanedioic acid dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.146723803 u |
| Formula | C15H22O5 |
| InChI | InChI=1S/C15H22O5/c1-4-10(9-11-7-5-6-8-12(11)16)13(14(17)19-2)15(18)20-3/h4,10-11,13H,1,5-9H2,2-3H3 |
| InChIKey | COGMDNUOPLUUQU-UHFFFAOYSA-N |
| SMILES | C(C(CC1C(=O)CCCC1)C=C)(C(=O)OC)C(=O)OC |