| SpectraBase Compound ID | Byqrvkxhkt3 |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-3-5-7-9-10-14-18-26-22(24)20-16-12-11-15-19(20)21(23)25-17-13-8-6-4-2/h19-20H,3-18H2,1-2H3 |
| InChIKey | MYNDADASTAWLIU-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 | 36WtRREmvYa |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, hexyl octyl 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/c1-3-5-7-9-10-14-18-26-22(24)20-16-12-11-15-19(20)21(23)25-17-13-8-6-4-2/h19-20H,3-18H2,1-2H3 |
| InChIKey | MYNDADASTAWLIU-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | CCCCCCCCOC(C1C(C(=O)OCCCCCC)CCCC1)=O |