| SpectraBase Compound ID | 5h5embe1xVx |
|---|---|
| InChI | InChI=1S/C17H11NO3/c1-20-12-7-8-13-15(9-12)21-17(19)14(10-18)16(13)11-5-3-2-4-6-11/h2-9H,1H3 |
| InChIKey | RJJBCBPFFQKAJD-UHFFFAOYSA-N |
| Mol Weight | 277.28 g/mol |
| Molecular Formula | C17H11NO3 |
| Exact Mass | 277.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 13CDPZdTpLq |
|---|---|
| Name | 7-Methoxy-2-oxo-4-phenyl-2H-1-benzopyran-3-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.073893215 u |
| Formula | C17H11NO3 |
| InChI | InChI=1S/C17H11NO3/c1-20-12-7-8-13-15(9-12)21-17(19)14(10-18)16(13)11-5-3-2-4-6-11/h2-9H,1H3 |
| InChIKey | RJJBCBPFFQKAJD-UHFFFAOYSA-N |
| SMILES | C=12C=CC(=CC1OC(C(=C2C=1C=CC=CC1)C#N)=O)OC |