| SpectraBase Compound ID | 3NfW1DwbHr5 |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-6-7-8-9-10-11-12-13-14-17-25-20(23)22(4,5)21(24)26-18-15-16-19(2)3/h19H,6-18H2,1-5H3 |
| InChIKey | RPOBCFWRURQVLL-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 | BI8VeU8XOvk |
|---|---|
| Name | Dimethylmalonic acid, isohexyl undecyl 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/c1-6-7-8-9-10-11-12-13-14-17-25-20(23)22(4,5)21(24)26-18-15-16-19(2)3/h19H,6-18H2,1-5H3 |
| InChIKey | RPOBCFWRURQVLL-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | CCCCCCCCCCCOC(C(C(=O)OCCCC(C)C)(C)C)=O |