| SpectraBase Compound ID | Hf6F0Txxypq |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-4-5-6-7-8-9-10-11-12-15-18-27-23(25)21-16-13-14-17-22(21)24(26)28-19-20(2)3/h20-22H,4-19H2,1-3H3 |
| InChIKey | XCIUSMYERKKAGN-UHFFFAOYSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C24H44O4 |
| Exact Mass | 396.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVnmlsn0MGw |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, isobutyl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.323959893 u |
| Formula | C24H44O4 |
| InChI | InChI=1S/C24H44O4/c1-4-5-6-7-8-9-10-11-12-15-18-27-23(25)21-16-13-14-17-22(21)24(26)28-19-20(2)3/h20-22H,4-19H2,1-3H3 |
| InChIKey | XCIUSMYERKKAGN-UHFFFAOYSA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | C(CCCCCCCCCOC(C1CCCCC1C(=O)OCC(C)C)=O)CC |