| SpectraBase Compound ID | 4LroUv9UxQb |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-3-4-5-6-7-10-13-21-17(19)15-12-9-8-11-14(15)16(18)20-2/h14-15H,3-13H2,1-2H3 |
| InChIKey | YSQLVTLGMPIMCY-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 | CYQDSB46Nut |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, methyl octyl 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/c1-3-4-5-6-7-10-13-21-17(19)15-12-9-8-11-14(15)16(18)20-2/h14-15H,3-13H2,1-2H3 |
| InChIKey | YSQLVTLGMPIMCY-UHFFFAOYSA-N |
| SMILES | C1(CCCCC1C(OCCCCCCCC)=O)C(=O)OC |