| SpectraBase Compound ID | IucKHaKFciH |
|---|---|
| InChI | InChI=1S/C26H48O4/c1-3-5-7-8-9-10-11-14-17-20-24-30-26(28)22-19-16-13-12-15-18-21-25(27)29-23-6-4-2/h4,6H,3,5,7-24H2,1-2H3/b6-4+ |
| InChIKey | VKNYAPZHHISHSB-GQCTYLIASA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C26H48O4 |
| Exact Mass | 424.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4brmzf41ZcC |
|---|---|
| Name | Sebacic acid, but-2-enyl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.355260022 u |
| Formula | C26H48O4 |
| InChI | InChI=1S/C26H48O4/c1-3-5-7-8-9-10-11-14-17-20-24-30-26(28)22-19-16-13-12-15-18-21-25(27)29-23-6-4-2/h4,6H,3,5,7-24H2,1-2H3/b6-4+ |
| InChIKey | VKNYAPZHHISHSB-GQCTYLIASA-N |
| Molecular Weight | 424.666 g/mol |
| SMILES | C(CCCCCCCCC(OC\C=C\C)=O)(OCCCCCCCCCCCC)=O |