| SpectraBase Compound ID | EYRxfVlP6Y |
|---|---|
| InChI | InChI=1S/C16H13N3O2S/c1-11-2-4-12(5-3-11)15-10-22-16(18-15)17-13-6-8-14(9-7-13)19(20)21/h2-10H,1H3,(H,17,18) |
| InChIKey | OPPQDLHBTCIRSR-UHFFFAOYSA-N |
| Mol Weight | 311.36 g/mol |
| Molecular Formula | C16H13N3O2S |
| Exact Mass | 311.072848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2jdXDyegmWr |
|---|---|
| Name | 4-Nitro-N-(4-p-tolyl-thiazol-2-yl)-benzeneamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.072847843 u |
| Formula | C16H13N3O2S |
| InChI | InChI=1S/C16H13N3O2S/c1-11-2-4-12(5-3-11)15-10-22-16(18-15)17-13-6-8-14(9-7-13)19(20)21/h2-10H,1H3,(H,17,18) |
| InChIKey | OPPQDLHBTCIRSR-UHFFFAOYSA-N |
| Molecular Weight | 311.359 g/mol |
| SMILES | C1=C(C=CC(=C1)C)C=1N=C(NC2=CC=C(C=C2)N(=O)=O)SC1 |