| SpectraBase Compound ID | GWiidkQV6QA |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-12(2)8-7-11-20-16(18)14-9-5-6-10-15(14)17(19)21-13(3)4/h12-15H,5-11H2,1-4H3 |
| InChIKey | ONUIWTQGPQZMLW-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | QBjGCBTIpA |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, isohexyl isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-12(2)8-7-11-20-16(18)14-9-5-6-10-15(14)17(19)21-13(3)4/h12-15H,5-11H2,1-4H3 |
| InChIKey | ONUIWTQGPQZMLW-UHFFFAOYSA-N |
| SMILES | C(C1CCCCC1C(OCCCC(C)C)=O)(=O)OC(C)C |