| SpectraBase Compound ID | Kw9Sm0F5bR5 |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-5-6-7-8-9-10-13-16-19-22-29-24(27)20-17-14-11-12-15-18-21-25(28)30-23-26(2,3)4/h5-23H2,1-4H3 |
| InChIKey | OCKAUNIUSAFKLS-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 | 9remIfoPfev |
|---|---|
| Name | Sebacic acid, neopentyl undecyl 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/c1-5-6-7-8-9-10-13-16-19-22-29-24(27)20-17-14-11-12-15-18-21-25(28)30-23-26(2,3)4/h5-23H2,1-4H3 |
| InChIKey | OCKAUNIUSAFKLS-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(CCCCCCCC(OCC(C)(C)C)=O)C(OCCCCCCCCCCC)=O |