![2-oxo-4-Phenylbenzo[H]chromene-3-carbonitrile](/api/spectrum/6iiCq6rfGBT/structure.png?h=300&w=458 "2-oxo-4-Phenylbenzo[H]chromene-3-carbonitrile")
| SpectraBase Compound ID | 3J5fnsx9vJg |
|---|---|
| InChI | InChI=1S/C20H11NO2/c21-12-17-18(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)23-20(17)22/h1-11H |
| InChIKey | XVXXKPXPWFQHMP-UHFFFAOYSA-N |
| Mol Weight | 297.31 g/mol |
| Molecular Formula | C20H11NO2 |
| Exact Mass | 297.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6iiCq6rfGBT |
|---|---|
| Name | 2-oxo-4-Phenylbenzo[H]chromene-3-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.078978596 u |
| Formula | C20H11NO2 |
| InChI | InChI=1S/C20H11NO2/c21-12-17-18(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)23-20(17)22/h1-11H |
| InChIKey | XVXXKPXPWFQHMP-UHFFFAOYSA-N |
| Molecular Weight | 297.313 g/mol |
| SMILES | C1(=CC=CC=C1)C1=C(C(OC=2C1=CC=C1C2C=CC=C1)=O)C#N |