| SpectraBase Compound ID | 873egaYPm4r |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-21(2)15-13-17-23(5)29-25(27)19-11-9-7-8-10-12-20-26(28)30-24(6)18-14-16-22(3)4/h21-24H,7-20H2,1-6H3 |
| InChIKey | BKEWEIYKDTTWRH-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 | 9newfd32msD |
|---|---|
| Name | Sebacic acid, di(6-methylhept-2-yl) 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/c1-21(2)15-13-17-23(5)29-25(27)19-11-9-7-8-10-12-20-26(28)30-24(6)18-14-16-22(3)4/h21-24H,7-20H2,1-6H3 |
| InChIKey | BKEWEIYKDTTWRH-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(CCCCCCCC(OC(CCCC(C)C)C)=O)C(OC(CCCC(C)C)C)=O |