| SpectraBase Compound ID | LRwJBp9nyDa |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-7-11-12-13-14-15-16-17-25-20(23)22(9-3,10-4)21(24)26-19(8-2)18(5)6/h18-19H,7-17H2,1-6H3 |
| InChIKey | VUDFLZGNMUDMOC-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 | 2SUA8xb12Sw |
|---|---|
| Name | Diethylmalonic acid, 2-methylpent-3-yl nonyl 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/c1-7-11-12-13-14-15-16-17-25-20(23)22(9-3,10-4)21(24)26-19(8-2)18(5)6/h18-19H,7-17H2,1-6H3 |
| InChIKey | VUDFLZGNMUDMOC-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(C(C(OCCCCCCCCC)=O)(CC)CC)(OC(C(C)C)CC)=O |