| SpectraBase Compound ID | 3fQWlrK5JQq |
|---|---|
| InChI | InChI=1S/C27H50O4/c1-3-5-7-9-10-11-14-17-21-25-31-27(29)23-19-16-13-12-15-18-22-26(28)30-24-20-8-6-4-2/h6,8H,3-5,7,9-25H2,1-2H3/b8-6+ |
| InChIKey | JZNMSLPIXIAUMJ-SOFGYWHQSA-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 | Av0w2jUuvM9 |
|---|---|
| Name | Sebacic acid, trans-3-hexenyl undecyl 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/c1-3-5-7-9-10-11-14-17-21-25-31-27(29)23-19-16-13-12-15-18-22-26(28)30-24-20-8-6-4-2/h6,8H,3-5,7,9-25H2,1-2H3/b8-6+ |
| InChIKey | JZNMSLPIXIAUMJ-SOFGYWHQSA-N |
| Molecular Weight | 438.693 g/mol |
| SMILES | CC\C=C\CCOC(CCCCCCCCC(OCCCCCCCCCCC)=O)=O |