| SpectraBase Compound ID | 2GbX59jGdj |
|---|---|
| InChI | InChI=1S/C18H15N3O3/c1-2-20-17(19-16-9-4-3-8-15(16)18(20)22)11-10-13-6-5-7-14(12-13)21(23)24/h3-12H,2H2,1H3/b11-10+ |
| InChIKey | GVFCAFJCYDWFGG-ZHACJKMWSA-N |
| Mol Weight | 321.34 g/mol |
| Molecular Formula | C18H15N3O3 |
| Exact Mass | 321.111341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RGf8I34NXa |
|---|---|
| Name | 3-Ethyl-2-(3-nitrostyryl)-4-quinazolone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.111341352 u |
| Formula | C18H15N3O3 |
| InChI | InChI=1S/C18H15N3O3/c1-2-20-17(19-16-9-4-3-8-15(16)18(20)22)11-10-13-6-5-7-14(12-13)21(23)24/h3-12H,2H2,1H3/b11-10+ |
| InChIKey | GVFCAFJCYDWFGG-ZHACJKMWSA-N |
| Molecular Weight | 321.336 g/mol |
| SMILES | CCN1C(=O)C2=CC=CC=C2N=C1\C=C\C=1C=C(N(=O)=O)C=CC1 |