![(E)-(4-nitrobenzylidene)-[(4-nitrophenyl)thio]amine](/api/spectrum/Fq2SviaRQq0/structure.png?h=300&w=458 "(E)-(4-nitrobenzylidene)-[(4-nitrophenyl)thio]amine")
| SpectraBase Compound ID | GAg1m9lKagH |
|---|---|
| InChI | InChI=1S/C13H9N3O4S/c17-15(18)11-3-1-10(2-4-11)9-14-21-13-7-5-12(6-8-13)16(19)20/h1-9H/b14-9+ |
| InChIKey | UTJXDDPOZFXRIB-NTEUORMPSA-N |
| Mol Weight | 303.29 g/mol |
| Molecular Formula | C13H9N3O4S |
| Exact Mass | 303.031377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fq2SviaRQq0 |
|---|---|
| Name | (E)-(4-Nitrobenzylidene)-[(4-nitrophenyl)thio]amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.031376952 u |
| Formula | C13H9N3O4S |
| InChI | InChI=1S/C13H9N3O4S/c17-15(18)11-3-1-10(2-4-11)9-14-21-13-7-5-12(6-8-13)16(19)20/h1-9H/b14-9+ |
| InChIKey | UTJXDDPOZFXRIB-NTEUORMPSA-N |
| Molecular Weight | 303.292 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(\C=N\SC2=CC=C(N(=O)=O)C=C2)C=C1 |