| SpectraBase Compound ID | JRdS1JxbOZk |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-4-7-9-10-13-16-19-23-29-25(27)21-17-14-11-12-15-18-22-26(28)30-24(6-3)20-8-5-2/h24H,4-23H2,1-3H3 |
| InChIKey | XJWXOFKUEQNFEZ-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 | 7honNRQxuy |
|---|---|
| Name | Sebacic acid, 3-heptyl nonyl 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/c1-4-7-9-10-13-16-19-23-29-25(27)21-17-14-11-12-15-18-22-26(28)30-24(6-3)20-8-5-2/h24H,4-23H2,1-3H3 |
| InChIKey | XJWXOFKUEQNFEZ-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCCCC)=O)(OC(CCCC)CC)=O |