| SpectraBase Compound ID | bDbhuet3s5 |
|---|---|
| InChI | InChI=1S/C26H50O5/c1-4-5-6-7-8-11-14-17-21-30-25(27)18-15-12-9-10-13-16-19-26(28)31-23-24(2)20-22-29-3/h24H,4-23H2,1-3H3 |
| InChIKey | DYTSAJSCAHJFKB-UHFFFAOYSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C26H50O5 |
| Exact Mass | 442.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A5N3Yuko8Cz |
|---|---|
| Name | Sebacic acid, decyl 4-methoxy-2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.365824705 u |
| Formula | C26H50O5 |
| InChI | InChI=1S/C26H50O5/c1-4-5-6-7-8-11-14-17-21-30-25(27)18-15-12-9-10-13-16-19-26(28)31-23-24(2)20-22-29-3/h24H,4-23H2,1-3H3 |
| InChIKey | DYTSAJSCAHJFKB-UHFFFAOYSA-N |
| Molecular Weight | 442.681 g/mol |
| SMILES | C(CCCCC(OCC(C)CCOC)=O)CCCC(OCCCCCCCCCC)=O |