| SpectraBase Compound ID | GnNXQ0ZaKXN |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-6-7-8-9-10-11-12-13-14-15-16-25-20(23)17-21(24)26-22(18(2)3)19(4)5/h18-19,22H,6-17H2,1-5H3 |
| InChIKey | PELPQIVKCYHBEH-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 | 7QT8ox77dJo |
|---|---|
| Name | Malonic acid, 2,4-dimethylpent-3-yl dodecyl 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/c1-6-7-8-9-10-11-12-13-14-15-16-25-20(23)17-21(24)26-22(18(2)3)19(4)5/h18-19,22H,6-17H2,1-5H3 |
| InChIKey | PELPQIVKCYHBEH-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(C(OC(C(C)C)C(C)C)=O)C(OCCCCCCCCCCCC)=O |