| SpectraBase Compound ID | 1lsPrsIcedb |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-3-5-7-10-14-22-18(20)16-12-9-8-11-15(16)17(19)21-13-6-4-2/h15-16H,3-14H2,1-2H3 |
| InChIKey | JZDKKCSTIGLISW-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 | GrFzy5LVjNQ |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, butyl hexyl 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/c1-3-5-7-10-14-22-18(20)16-12-9-8-11-15(16)17(19)21-13-6-4-2/h15-16H,3-14H2,1-2H3 |
| InChIKey | JZDKKCSTIGLISW-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | CCCCOC(C1C(C(=O)OCCCCCC)CCCC1)=O |