| SpectraBase Compound ID | JQxRgd8iWlC |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-7-17(13(3)4)23-19(21)15-11-9-10-12-16(15)20(22)24-18(8-2)14(5)6/h13-18H,7-12H2,1-6H3 |
| InChIKey | RGQKNUDLRLDOKP-UHFFFAOYSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C20H36O4 |
| Exact Mass | 340.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 705MPPZ2Ltw |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, di(2-methylpent-3-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.261359635 u |
| Formula | C20H36O4 |
| InChI | InChI=1S/C20H36O4/c1-7-17(13(3)4)23-19(21)15-11-9-10-12-16(15)20(22)24-18(8-2)14(5)6/h13-18H,7-12H2,1-6H3 |
| InChIKey | RGQKNUDLRLDOKP-UHFFFAOYSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(C1CCCCC1C(OC(CC)C(C)C)=O)(=O)OC(C(C)C)CC |