| SpectraBase Compound ID | BUfoOgVO6qH |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-4-5-8-11-20-16(18)14-9-6-7-10-15(14)17(19)21-12-13(2)3/h13-15H,4-12H2,1-3H3 |
| InChIKey | OLYHQZVEXBYJFM-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 | 9ZJbDlNvBjt |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, isobutyl pentyl 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/c1-4-5-8-11-20-16(18)14-9-6-7-10-15(14)17(19)21-12-13(2)3/h13-15H,4-12H2,1-3H3 |
| InChIKey | OLYHQZVEXBYJFM-UHFFFAOYSA-N |
| SMILES | C1(CCCCC1C(OCCCCC)=O)C(=O)OCC(C)C |