| SpectraBase Compound ID | LrVA1hsvUPZ |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-4-12(5-2)11-20-16(18)14-10-8-7-9-13(14)15(17)19-6-3/h7-8,12-14H,4-6,9-11H2,1-3H3 |
| InChIKey | UNRCMOQMXSQDKE-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 | HbBBN4xFSyM |
|---|---|
| Name | cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl 2-ethylbutyl 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/c1-4-12(5-2)11-20-16(18)14-10-8-7-9-13(14)15(17)19-6-3/h7-8,12-14H,4-6,9-11H2,1-3H3 |
| InChIKey | UNRCMOQMXSQDKE-UHFFFAOYSA-N |
| SMILES | C=1CC(C(CC1)C(OCC(CC)CC)=O)C(=O)OCC |