![2-[(4-Methoxyphenyl)carbonyl]benzonitrile](/api/spectrum/EXEwn2caojF/structure.png?h=300&w=458 "2-[(4-Methoxyphenyl)carbonyl]benzonitrile")
| SpectraBase Compound ID | LIDodHtmOwV |
|---|---|
| InChI | InChI=1S/C15H11NO2/c1-18-13-8-6-11(7-9-13)15(17)14-5-3-2-4-12(14)10-16/h2-9H,1H3 |
| InChIKey | QAOUFVQLMFMIDR-UHFFFAOYSA-N |
| Mol Weight | 237.26 g/mol |
| Molecular Formula | C15H11NO2 |
| Exact Mass | 237.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXEwn2caojF |
|---|---|
| Name | 2-[(4-Methoxyphenyl)carbonyl]benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.078978596 u |
| Formula | C15H11NO2 |
| InChI | InChI=1S/C15H11NO2/c1-18-13-8-6-11(7-9-13)15(17)14-5-3-2-4-12(14)10-16/h2-9H,1H3 |
| InChIKey | QAOUFVQLMFMIDR-UHFFFAOYSA-N |
| Molecular Weight | 237.258 g/mol |
| SMILES | C1(=CC=CC=C1C#N)C(=O)C1=CC=C(OC)C=C1 |