| SpectraBase Compound ID | AoVsP49P8UY |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-4-5-6-9-12-20-16(18)14-10-7-8-11-15(14)17(19)21-13(2)3/h13-15H,4-12H2,1-3H3 |
| InChIKey | DGXFWVNYSUOIBQ-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5xvavv6gpVF |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, hexyl 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/c1-4-5-6-9-12-20-16(18)14-10-7-8-11-15(14)17(19)21-13(2)3/h13-15H,4-12H2,1-3H3 |
| InChIKey | DGXFWVNYSUOIBQ-UHFFFAOYSA-N |
| SMILES | C(C1CCCCC1C(OCCCCCC)=O)(=O)OC(C)C |