| SpectraBase Compound ID | B2u7lFSu2sS |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-4-5-6-9-14-23-19(21)17-12-7-8-13-18(17)20(22)24-15-10-11-16(2)3/h7-8,16-18H,4-6,9-15H2,1-3H3 |
| InChIKey | XFGCMWFHQFHTJN-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 | GzP3NmnpJ9J |
|---|---|
| Name | cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexyl 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/c1-4-5-6-9-14-23-19(21)17-12-7-8-13-18(17)20(22)24-15-10-11-16(2)3/h7-8,16-18H,4-6,9-15H2,1-3H3 |
| InChIKey | XFGCMWFHQFHTJN-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | C=1CC(C(CC1)C(OCCCCCC)=O)C(=O)OCCCC(C)C |