| SpectraBase Compound ID | JDyI3lqDpuB |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-6-8-9-10-11-12-13-14-15-16-17-19-26-21(24)23(4,5)22(25)27-20(3)18-7-2/h20H,6-19H2,1-5H3 |
| InChIKey | BQCUGPCNPCMMHD-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HwYFUII7eZB |
|---|---|
| Name | Dimethylmalonic acid, 2-pentyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-6-8-9-10-11-12-13-14-15-16-17-19-26-21(24)23(4,5)22(25)27-20(3)18-7-2/h20H,6-19H2,1-5H3 |
| InChIKey | BQCUGPCNPCMMHD-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | CC(OC(=O)C(C)(C)C(OCCCCCCCCCCCCC)=O)CCC |