| SpectraBase Compound ID | gRyQla7pP8 |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-7-10-11-12-13-16-24-19(22)21(8-2,9-3)20(23)25-18(6)15-14-17(4)5/h17-18H,7-16H2,1-6H3 |
| InChIKey | KLNAWULWJZWWNK-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 | 27XhDOYBAIz |
|---|---|
| Name | Diethylmalonic acid, heptyl 5-methylhex-2-yl 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/c1-7-10-11-12-13-16-24-19(22)21(8-2,9-3)20(23)25-18(6)15-14-17(4)5/h17-18H,7-16H2,1-6H3 |
| InChIKey | KLNAWULWJZWWNK-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | CC(CCC(OC(C(C(OCCCCCCC)=O)(CC)CC)=O)C)C |