| SpectraBase Compound ID | JC9YQRfqxgi |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-5-9-11-13-15-17-19-26-21(24)22(7-3,8-4)20(23)25-18-16-14-12-10-6-2/h5-19H2,1-4H3 |
| InChIKey | HKTLWTIKAXGXFV-UHFFFAOYSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C22H42O4 |
| Exact Mass | 370.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9f0zkQLNC5n |
|---|---|
| Name | Diethylmalonic acid, heptyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.308309828 u |
| Formula | C22H42O4 |
| InChI | InChI=1S/C22H42O4/c1-5-9-11-13-15-17-19-26-21(24)22(7-3,8-4)20(23)25-18-16-14-12-10-6-2/h5-19H2,1-4H3 |
| InChIKey | HKTLWTIKAXGXFV-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | CCC(C(OCCCCCCCC)=O)(C(OCCCCCCC)=O)CC |