| SpectraBase Compound ID | KfRL1FwBT7J |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-5-6-7-8-9-10-13-16-25-21(23)19-14-11-12-15-20(19)22(24)26-18(4)17(2)3/h17-20H,5-16H2,1-4H3 |
| InChIKey | UXOIHZWCTKMMIN-UHFFFAOYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KKbmeWnb7s6 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 3-methylbut-2-yl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-5-6-7-8-9-10-13-16-25-21(23)19-14-11-12-15-20(19)22(24)26-18(4)17(2)3/h17-20H,5-16H2,1-4H3 |
| InChIKey | UXOIHZWCTKMMIN-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | CCCCCCCCCOC(C1CCCCC1C(=O)OC(C(C)C)C)=O |