| SpectraBase Compound ID | 8CGy74HJA37 |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-6-10-12-13-14-15-16-17-18-19-20-22-29-24(27)26(8-3,9-4)25(28)30-23(5)21-11-7-2/h23H,6-22H2,1-5H3 |
| InChIKey | ZABSKRXETZIBHP-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 | 5yeQ7F4Jczz |
|---|---|
| Name | Diethylmalonic acid, 2-hexyl 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/c1-6-10-12-13-14-15-16-17-18-19-20-22-29-24(27)26(8-3,9-4)25(28)30-23(5)21-11-7-2/h23H,6-22H2,1-5H3 |
| InChIKey | ZABSKRXETZIBHP-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(C(C(OCCCCCCCCCCCCC)=O)(CC)CC)(OC(C)CCCC)=O |