| SpectraBase Compound ID | 32pxj9nmJYH |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-13(2)12-21-17(19)15-10-6-7-11-16(15)18(20)22-14-8-4-3-5-9-14/h13-16H,3-12H2,1-2H3 |
| InChIKey | IDGQDODXHJFNKL-UHFFFAOYSA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 715YInSE9Y6 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, cyclohexyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.214409442 u |
| Formula | C18H30O4 |
| InChI | InChI=1S/C18H30O4/c1-13(2)12-21-17(19)15-10-6-7-11-16(15)18(20)22-14-8-4-3-5-9-14/h13-16H,3-12H2,1-2H3 |
| InChIKey | IDGQDODXHJFNKL-UHFFFAOYSA-N |
| SMILES | C(C1CCCCC1C(OCC(C)C)=O)(=O)OC1CCCCC1 |