| SpectraBase Compound ID | CzCC1m8MMrC |
|---|---|
| InChI | InChI=1S/C19H25NO2/c1-2-3-4-5-6-7-8-9-10-15-22-19(21)18-13-11-17(16-20)12-14-18/h9-14H,2-8,15H2,1H3/b10-9+ |
| InChIKey | BTNFTBZJFUVRKM-MDZDMXLPSA-N |
| Mol Weight | 299.41 g/mol |
| Molecular Formula | C19H25NO2 |
| Exact Mass | 299.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6YPSIS6ABSh |
|---|---|
| Name | 4-Cyanobenzoic acid, undec-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.188529047 u |
| Formula | C19H25NO2 |
| InChI | InChI=1S/C19H25NO2/c1-2-3-4-5-6-7-8-9-10-15-22-19(21)18-13-11-17(16-20)12-14-18/h9-14H,2-8,15H2,1H3/b10-9+ |
| InChIKey | BTNFTBZJFUVRKM-MDZDMXLPSA-N |
| SMILES | C1(=CC=C(C=C1)C(=O)OC\C=C\CCCCCCCC)C#N |