| SpectraBase Compound ID | 9j6MmFHQMI9 |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-5-7-12-21-17(19)14-10-8-9-11-15(14)18(20)22-16(6-2)13(3)4/h13-16H,5-12H2,1-4H3 |
| InChIKey | MJUGEXJVKKJSGY-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LjaETeI35UC |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, butyl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-5-7-12-21-17(19)14-10-8-9-11-15(14)18(20)22-16(6-2)13(3)4/h13-16H,5-12H2,1-4H3 |
| InChIKey | MJUGEXJVKKJSGY-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(C1CCCCC1C(OCCCC)=O)(=O)OC(C(C)C)CC |