| SpectraBase Compound ID | IOfTlFFy7qQ |
|---|---|
| InChI | InChI=1S/C16H14N2O5/c1-2-23-16-6-4-3-5-13(16)8-7-12-9-10-14(17(19)20)11-15(12)18(21)22/h3-11H,2H2,1H3 |
| InChIKey | FAEPBPGKGMPHBI-UHFFFAOYSA-N |
| Mol Weight | 314.3 g/mol |
| Molecular Formula | C16H14N2O5 |
| Exact Mass | 314.090272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IyRkgIvvxed |
|---|---|
| Name | o-(2,4-Dinitrostyryl)phenetole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.090271554 u |
| Formula | C16H14N2O5 |
| InChI | InChI=1S/C16H14N2O5/c1-2-23-16-6-4-3-5-13(16)8-7-12-9-10-14(17(19)20)11-15(12)18(21)22/h3-11H,2H2,1H3 |
| InChIKey | FAEPBPGKGMPHBI-UHFFFAOYSA-N |
| Molecular Weight | 314.297 g/mol |
| SMILES | N(=O)(=O)C1=CC=C(C(=C1)N(=O)=O)C=CC=1C(=CC=CC1)OCC |