| SpectraBase Compound ID | IJJ29qXqK62 |
|---|---|
| InChI | InChI=1S/C18H15NO3/c1-21-18(20)16(12-19)11-14-7-9-17(10-8-14)22-13-15-5-3-2-4-6-15/h2-11H,13H2,1H3/b16-11- |
| InChIKey | UBGMIYYOECTRDC-WJDWOHSUSA-N |
| Mol Weight | 293.32 g/mol |
| Molecular Formula | C18H15NO3 |
| Exact Mass | 293.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Guv0XTrX32 |
|---|---|
| Name | 3-(4-Benzyloxy-phenyl)-2-cyano-acrylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.105193344 u |
| Formula | C18H15NO3 |
| InChI | InChI=1S/C18H15NO3/c1-21-18(20)16(12-19)11-14-7-9-17(10-8-14)22-13-15-5-3-2-4-6-15/h2-11H,13H2,1H3/b16-11- |
| InChIKey | UBGMIYYOECTRDC-WJDWOHSUSA-N |
| SMILES | C1(\C=C/(C(OC)=O)C#N)=CC=C(OCC2=CC=CC=C2)C=C1 |