| SpectraBase Compound ID | NoN13TiB3N |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-5-7-9-10-11-12-13-14-15-17-19-26-21(24)22(3,4)20(23)25-18-16-8-6-2/h5-19H2,1-4H3 |
| InChIKey | MWWCVLWARJMALK-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 | JIJYmOcdAJw |
|---|---|
| Name | Dimethylmalonic acid, dodecyl pentyl 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/c1-5-7-9-10-11-12-13-14-15-17-19-26-21(24)22(3,4)20(23)25-18-16-8-6-2/h5-19H2,1-4H3 |
| InChIKey | MWWCVLWARJMALK-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CCCOC(=O)C(C(OCCCCC)=O)(C)C)CCCCCCCC |