![8-Allyl-2-oxo-2H-[1]benzopyran-3-carbonitrile](/api/spectrum/ADEl4eCKtvE/structure.png?h=300&w=458 "8-Allyl-2-oxo-2H-[1]benzopyran-3-carbonitrile")
| SpectraBase Compound ID | BqbhCQqU7aF |
|---|---|
| InChI | InChI=1S/C13H9NO2/c1-2-4-9-5-3-6-10-7-11(8-14)13(15)16-12(9)10/h2-3,5-7H,1,4H2 |
| InChIKey | JWKBUAQCGCONON-UHFFFAOYSA-N |
| Mol Weight | 211.22 g/mol |
| Molecular Formula | C13H9NO2 |
| Exact Mass | 211.063329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADEl4eCKtvE |
|---|---|
| Name | 8-Allyl-2-oxo-2H-[1]benzopyran-3-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.063328532 u |
| Formula | C13H9NO2 |
| InChI | InChI=1S/C13H9NO2/c1-2-4-9-5-3-6-10-7-11(8-14)13(15)16-12(9)10/h2-3,5-7H,1,4H2 |
| InChIKey | JWKBUAQCGCONON-UHFFFAOYSA-N |
| Molecular Weight | 211.220 g/mol |
| SMILES | C=1(C(OC=2C(C1)=CC=CC2CC=C)=O)C#N |