| SpectraBase Compound ID | GykwxlkaByH |
|---|---|
| InChI | InChI=1S/C26H39NO4/c1-2-3-4-5-8-11-14-21-30-25(28)15-12-9-6-7-10-13-16-26(29)31-24-19-17-23(22-27)18-20-24/h17-20H,2-16,21H2,1H3 |
| InChIKey | UWBDSIDBVCBNIC-UHFFFAOYSA-N |
| Mol Weight | 429.6 g/mol |
| Molecular Formula | C26H39NO4 |
| Exact Mass | 429.287909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HWIt6W1xyrE |
|---|---|
| Name | Sebacic acid, 4-cyanophenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 429.287908736 u |
| Formula | C26H39NO4 |
| InChI | InChI=1S/C26H39NO4/c1-2-3-4-5-8-11-14-21-30-25(28)15-12-9-6-7-10-13-16-26(29)31-24-19-17-23(22-27)18-20-24/h17-20H,2-16,21H2,1H3 |
| InChIKey | UWBDSIDBVCBNIC-UHFFFAOYSA-N |
| Molecular Weight | 429.601 g/mol |
| SMILES | C(CCCCC(OC1=CC=C(C#N)C=C1)=O)CCCC(OCCCCCCCCC)=O |