| SpectraBase Compound ID | DJGR5QcQadP |
|---|---|
| InChI | InChI=1S/C27H50O4/c1-3-5-7-8-9-10-11-12-15-18-21-25-31-27(29)23-20-17-14-13-16-19-22-26(28)30-24-6-4-2/h4,6H,3,5,7-25H2,1-2H3/b6-4+ |
| InChIKey | GTPMRFHYCXPUCL-GQCTYLIASA-N |
| Mol Weight | 438.7 g/mol |
| Molecular Formula | C27H50O4 |
| Exact Mass | 438.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GC8RPFWDVj9 |
|---|---|
| Name | Sebacic acid, but-2-enyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.370910086 u |
| Formula | C27H50O4 |
| InChI | InChI=1S/C27H50O4/c1-3-5-7-8-9-10-11-12-15-18-21-25-31-27(29)23-20-17-14-13-16-19-22-26(28)30-24-6-4-2/h4,6H,3,5,7-25H2,1-2H3/b6-4+ |
| InChIKey | GTPMRFHYCXPUCL-GQCTYLIASA-N |
| Molecular Weight | 438.693 g/mol |
| SMILES | C(CCCCCCCCC(OC\C=C\C)=O)(OCCCCCCCCCCCCC)=O |