| SpectraBase Compound ID | B5sAW8vP089 |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-29-24(27)18-17-19-25(28)30-22-23(2)21-26(3,4)5/h23H,6-22H2,1-5H3 |
| InChIKey | VPPNZLHYOQDEPI-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 | LGHggZKF59P |
|---|---|
| Name | Glutaric acid, tridecyl 2,4,4-trimethylpentyl 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/c1-6-7-8-9-10-11-12-13-14-15-16-20-29-24(27)18-17-19-25(28)30-22-23(2)21-26(3,4)5/h23H,6-22H2,1-5H3 |
| InChIKey | VPPNZLHYOQDEPI-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(OCC(CC(C)(C)C)C)(=O)CCCC(OCCCCCCCCCCCCC)=O |