| SpectraBase Compound ID | 8kaX8DBKLf7 |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-4-5-6-7-8-9-10-11-14-17-26-22(24)20-15-12-13-16-21(20)23(25)27-18-19(2)3/h19-21H,4-18H2,1-3H3 |
| InChIKey | KFFISQLLHSGQKG-UHFFFAOYSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C23H42O4 |
| Exact Mass | 382.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bsmWSGDy1y |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, isobutyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.308309828 u |
| Formula | C23H42O4 |
| InChI | InChI=1S/C23H42O4/c1-4-5-6-7-8-9-10-11-14-17-26-22(24)20-15-12-13-16-21(20)23(25)27-18-19(2)3/h19-21H,4-18H2,1-3H3 |
| InChIKey | KFFISQLLHSGQKG-UHFFFAOYSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(C1CCCCC1C(OCCCCCCCCCCC)=O)(=O)OCC(C)C |