| SpectraBase Compound ID | ASTmctoz23g |
|---|---|
| InChI | InChI=1S/C18H14N4O4/c19-14-5-1-12(2-6-14)13-3-7-15(8-4-13)20-17-10-9-16(21(23)24)11-18(17)22(25)26/h1-11,20H,19H2 |
| InChIKey | APQMZGYQXWMUSB-UHFFFAOYSA-N |
| Mol Weight | 350.33 g/mol |
| Molecular Formula | C18H14N4O4 |
| Exact Mass | 350.101505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HjDUSuoMeCZ |
|---|---|
| Name | N-(2,4-Dinitrophenyl)-4,4'-biphenyldiamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.101504943 u |
| Formula | C18H14N4O4 |
| InChI | InChI=1S/C18H14N4O4/c19-14-5-1-12(2-6-14)13-3-7-15(8-4-13)20-17-10-9-16(21(23)24)11-18(17)22(25)26/h1-11,20H,19H2 |
| InChIKey | APQMZGYQXWMUSB-UHFFFAOYSA-N |
| Molecular Weight | 350.334 g/mol |
| SMILES | C1=C(C=CC(=C1)N)C1=CC=C(NC2=C(C=C(N(=O)=O)C=C2)N(=O)=O)C=C1 |