![4,4'-(Benzo[b]furan-2,3-diyl)dibenzonitrile](/api/spectrum/7OzbdNoBGYs/structure.png?h=300&w=458 "4,4'-(Benzo[b]furan-2,3-diyl)dibenzonitrile")
| SpectraBase Compound ID | 6kLSzppgBzR |
|---|---|
| InChI | InChI=1S/C22H12N2O/c23-13-15-5-9-17(10-6-15)21-19-3-1-2-4-20(19)25-22(21)18-11-7-16(14-24)8-12-18/h1-12H |
| InChIKey | XBZVYUZIPRSAPT-UHFFFAOYSA-N |
| Mol Weight | 320.35 g/mol |
| Molecular Formula | C22H12N2O |
| Exact Mass | 320.094963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7OzbdNoBGYs |
|---|---|
| Name | 4,4'-(Benzo[B]furan-2,3-diyl)dibenzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.094963013 u |
| Formula | C22H12N2O |
| InChI | InChI=1S/C22H12N2O/c23-13-15-5-9-17(10-6-15)21-19-3-1-2-4-20(19)25-22(21)18-11-7-16(14-24)8-12-18/h1-12H |
| InChIKey | XBZVYUZIPRSAPT-UHFFFAOYSA-N |
| Molecular Weight | 320.351 g/mol |
| SMILES | C1(=C(C=2C=CC=CC2O1)C1=CC=C(C#N)C=C1)C=1C=CC(C#N)=CC1 |