| SpectraBase Compound ID | IqOsWBWBJZL |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-7-17-21(5)23(9-3)29-25(27)19-15-13-11-12-14-16-20-26(28)30-24(10-4)22(6)18-8-2/h21-24H,7-20H2,1-6H3 |
| InChIKey | MXDDGCDWTPVWPJ-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 | 3729CGr71vd |
|---|---|
| Name | Sebacic acid, di(4-methylhept-3-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/c1-7-17-21(5)23(9-3)29-25(27)19-15-13-11-12-14-16-20-26(28)30-24(10-4)22(6)18-8-2/h21-24H,7-20H2,1-6H3 |
| InChIKey | MXDDGCDWTPVWPJ-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(CCCCCCCC(OC(C(C)CCC)CC)=O)C(OC(C(CCC)C)CC)=O |