![1-Nitro-2-[(1E,3E)-4-(2-nitrophenyl)buta-1,3-dienyl]benzene](/api/spectrum/9GLGpTjthwT/structure.png?h=300&w=458 "1-Nitro-2-[(1E,3E)-4-(2-nitrophenyl)buta-1,3-dienyl]benzene")
| SpectraBase Compound ID | 6DNEocZ86rt |
|---|---|
| InChI | InChI=1S/C16H12N2O4/c19-17(20)15-11-5-3-9-13(15)7-1-2-8-14-10-4-6-12-16(14)18(21)22/h1-12H/b7-1+,8-2+ |
| InChIKey | NOBVYURTQVHAAH-FACPPWRESA-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 | 9GLGpTjthwT |
|---|---|
| Name | 1-Nitro-2-[(1E,3E)-4-(2-nitrophenyl)buta-1,3-dienyl]benzene |
| 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)15-11-5-3-9-13(15)7-1-2-8-14-10-4-6-12-16(14)18(21)22/h1-12H/b7-1+,8-2+ |
| InChIKey | NOBVYURTQVHAAH-FACPPWRESA-N |
| Molecular Weight | 296.282 g/mol |
| SMILES | C=1(N(=O)=O)C(\C=C\C=C\C=2C(N(=O)=O)=CC=CC2)=CC=CC1 |