| SpectraBase Compound ID | JNxViSRAPZ1 |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-5-7-9-11-13-15-17-24-19(22)21(3,4)20(23)25-18-16-14-12-10-8-6-2/h5-18H2,1-4H3 |
| InChIKey | SUVRGZBPMIIQSK-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C21H40O4 |
| Exact Mass | 356.29266 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 | Hka8MAiWSOv |
|---|---|
| Name | Dimethylmalonic acid, dioctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.292659764 u |
| Formula | C21H40O4 |
| InChI | InChI=1S/C21H40O4/c1-5-7-9-11-13-15-17-24-19(22)21(3,4)20(23)25-18-16-14-12-10-8-6-2/h5-18H2,1-4H3 |
| InChIKey | SUVRGZBPMIIQSK-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | CCCCCCCCOC(C(C(=O)OCCCCCCCC)(C)C)=O |