| SpectraBase Compound ID | 8nJ44QFdcbK |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-4-5-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(2)3/h12-14H,4-11H2,1-3H3 |
| InChIKey | HYXGOZPSEVFYHG-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 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 | 3uYQXHa1gKG |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, butyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-4-5-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(2)3/h12-14H,4-11H2,1-3H3 |
| InChIKey | HYXGOZPSEVFYHG-UHFFFAOYSA-N |
| SMILES | C1(CCCCC1C(OCCCC)=O)C(=O)OCC(C)C |