| SpectraBase Compound ID | 611DqFC2pAU |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-5-8-9-10-15-23-18(21)20(6-2,7-3)19(22)24-17-13-11-16(4)12-14-17/h16-17H,5-15H2,1-4H3 |
| InChIKey | XRRHHWJJDZDSLP-UHFFFAOYSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C20H36O4 |
| Exact Mass | 340.26136 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 | 7Stb8qfkS2y |
|---|---|
| Name | Diethylmalonic acid, hexyl 4-methylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.261359635 u |
| Formula | C20H36O4 |
| InChI | InChI=1S/C20H36O4/c1-5-8-9-10-15-23-18(21)20(6-2,7-3)19(22)24-17-13-11-16(4)12-14-17/h16-17H,5-15H2,1-4H3 |
| InChIKey | XRRHHWJJDZDSLP-UHFFFAOYSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(COC(=O)C(C(OC1CCC(C)CC1)=O)(CC)CC)CCCC |