| SpectraBase Compound ID | 2bwpzesdTv9 |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-4-5-6-9-14-23-19(21)17-12-7-8-13-18(17)20(22)24-15-10-11-16(2)3/h16-18H,4-15H2,1-3H3 |
| InChIKey | MBTKYQHLJXXXGP-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 | 2P3x7DzSpa |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, hexyl isohexyl 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/c1-4-5-6-9-14-23-19(21)17-12-7-8-13-18(17)20(22)24-15-10-11-16(2)3/h16-18H,4-15H2,1-3H3 |
| InChIKey | MBTKYQHLJXXXGP-UHFFFAOYSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | CC(C)CCCOC(C1C(C(=O)OCCCCCC)CCCC1)=O |