| SpectraBase Compound ID | 3RdvOLuSBNz |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-6-11-12-13-14-15-16-17-18-19-20-21-29-24(27)26(9-4,10-5)25(28)30-22-23(7-2)8-3/h23H,6-22H2,1-5H3 |
| InChIKey | YNTWEWOCCOJDEN-UHFFFAOYSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C26H50O4 |
| Exact Mass | 426.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 57G8Clnt4xd |
|---|---|
| Name | Diethylmalonic acid, 2-ethylbutyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.370910086 u |
| Formula | C26H50O4 |
| InChI | InChI=1S/C26H50O4/c1-6-11-12-13-14-15-16-17-18-19-20-21-29-24(27)26(9-4,10-5)25(28)30-22-23(7-2)8-3/h23H,6-22H2,1-5H3 |
| InChIKey | YNTWEWOCCOJDEN-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | CCC(C(OCCCCCCCCCCCCC)=O)(C(OCC(CC)CC)=O)CC |