| SpectraBase Compound ID | 8fziMFJmgth |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-5-6-9-12-21-17(19)15-10-7-8-11-16(15)18(20)22-14(4)13(2)3/h13-16H,5-12H2,1-4H3 |
| InChIKey | DDTQSZRDTBBZJM-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 | EZHaRvZ19I5 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 3-methylbut-2-yl pentyl 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/c1-5-6-9-12-21-17(19)15-10-7-8-11-16(15)18(20)22-14(4)13(2)3/h13-16H,5-12H2,1-4H3 |
| InChIKey | DDTQSZRDTBBZJM-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CCCOC(C1CCCCC1C(=O)OC(C(C)C)C)=O)C |