| SpectraBase Compound ID | 3J4TmIOSXXE |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,15-18H,7-14H2,1-4H3 |
| InChIKey | PEVISEDIXJXZQL-UHFFFAOYSA-N |
| Mol Weight | 338.5 g/mol |
| Molecular Formula | C20H34O4 |
| Exact Mass | 338.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6WR2tpB5TgB |
|---|---|
| Name | cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(isohexyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.245709571 u |
| Formula | C20H34O4 |
| InChI | InChI=1S/C20H34O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,15-18H,7-14H2,1-4H3 |
| InChIKey | PEVISEDIXJXZQL-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | C=1CC(C(CC1)C(OCCCC(C)C)=O)C(=O)OCCCC(C)C |