| SpectraBase Compound ID | 2yvVQ1MaCWP |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-4-19-15(17)13-9-5-6-10-14(13)16(18)20-11-7-8-12(2)3/h5-6,12-14H,4,7-11H2,1-3H3 |
| InChIKey | FQLHTDJFRLGLAW-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | WEXCr98jTv |
|---|---|
| Name | cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-4-19-15(17)13-9-5-6-10-14(13)16(18)20-11-7-8-12(2)3/h5-6,12-14H,4,7-11H2,1-3H3 |
| InChIKey | FQLHTDJFRLGLAW-UHFFFAOYSA-N |
| SMILES | C=1CC(C(CC1)C(OCCCC(C)C)=O)C(=O)OCC |