| SpectraBase Compound ID | LofviTrhySU |
|---|---|
| InChI | InChI=1S/C26H48O4/c1-3-5-7-9-10-13-16-20-24-30-26(28)22-18-15-12-11-14-17-21-25(27)29-23-19-8-6-4-2/h6,8H,3-5,7,9-24H2,1-2H3/b8-6+ |
| InChIKey | XRTLPTJICAGAGX-SOFGYWHQSA-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 | 6xt2yje7faz |
|---|---|
| Name | Sebacic acid, decyl trans-3-hexenyl 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/c1-3-5-7-9-10-13-16-20-24-30-26(28)22-18-15-12-11-14-17-21-25(27)29-23-19-8-6-4-2/h6,8H,3-5,7,9-24H2,1-2H3/b8-6+ |
| InChIKey | XRTLPTJICAGAGX-SOFGYWHQSA-N |
| Molecular Weight | 424.666 g/mol |
| SMILES | CC\C=C\CCOC(CCCCCCCCC(OCCCCCCCCCC)=O)=O |