![2,4-Dinitro-1-[(E)-2-(3-nitrophenyl)ethenyl]benzene](/api/spectrum/K9EonzRbWyM/structure.png?h=300&w=458 "2,4-Dinitro-1-[(E)-2-(3-nitrophenyl)ethenyl]benzene")
| SpectraBase Compound ID | 5HCVBw0zKZ |
|---|---|
| InChI | InChI=1S/C14H9N3O6/c18-15(19)12-3-1-2-10(8-12)4-5-11-6-7-13(16(20)21)9-14(11)17(22)23/h1-9H/b5-4+ |
| InChIKey | OUXDWRIVHNBVLH-SNAWJCMRSA-N |
| Mol Weight | 315.24 g/mol |
| Molecular Formula | C14H9N3O6 |
| Exact Mass | 315.049135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K9EonzRbWyM |
|---|---|
| Name | 2,4-Dinitro-1-[(E)-2-(3-nitrophenyl)ethenyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.049135016 u |
| Formula | C14H9N3O6 |
| InChI | InChI=1S/C14H9N3O6/c18-15(19)12-3-1-2-10(8-12)4-5-11-6-7-13(16(20)21)9-14(11)17(22)23/h1-9H/b5-4+ |
| InChIKey | OUXDWRIVHNBVLH-SNAWJCMRSA-N |
| Molecular Weight | 315.241 g/mol |
| SMILES | C1(N(=O)=O)=CC(N(=O)=O)=CC=C1\C=C\C=1C=C(N(=O)=O)C=CC1 |