| SpectraBase Compound ID | 5sKuJ3MHTMb |
|---|---|
| InChI | InChI=1S/C16H9NO2/c17-10-11-5-7-12(8-6-11)14-9-16(18)19-15-4-2-1-3-13(14)15/h1-9H |
| InChIKey | IQFZAYCGLZUAFN-UHFFFAOYSA-N |
| Mol Weight | 247.25 g/mol |
| Molecular Formula | C16H9NO2 |
| Exact Mass | 247.063329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5vf4AxuctC0 |
|---|---|
| Name | 4-(4-Cyanophenyl)coumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.063328532 u |
| Formula | C16H9NO2 |
| InChI | InChI=1S/C16H9NO2/c17-10-11-5-7-12(8-6-11)14-9-16(18)19-15-4-2-1-3-13(14)15/h1-9H |
| InChIKey | IQFZAYCGLZUAFN-UHFFFAOYSA-N |
| Molecular Weight | 247.253 g/mol |
| SMILES | C=1(C2=C(C=CC=C2)OC(C1)=O)C=1C=CC(C#N)=CC1 |