| SpectraBase Compound ID | 9hN9YZCKzLC |
|---|---|
| InChI | InChI=1S/C16H12N2O4/c19-17(20)15-11-10-14(16(12-15)18(21)22)9-5-4-8-13-6-2-1-3-7-13/h1-12H |
| InChIKey | ZSGAOXNLIZLYFG-UHFFFAOYSA-N |
| Mol Weight | 296.28 g/mol |
| Molecular Formula | C16H12N2O4 |
| Exact Mass | 296.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HwpA2u0TEpi |
|---|---|
| Name | 1-(2,4-Dinitrophenyl)-4-phenyl-1,3-butadiene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.079706870 u |
| Formula | C16H12N2O4 |
| InChI | InChI=1S/C16H12N2O4/c19-17(20)15-11-10-14(16(12-15)18(21)22)9-5-4-8-13-6-2-1-3-7-13/h1-12H |
| InChIKey | ZSGAOXNLIZLYFG-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C1=CC=C(C(=C1)N(=O)=O)C=CC=CC=1C=CC=CC1 |