| SpectraBase Compound ID | 5VZLUcSyaFo |
|---|---|
| InChI | InChI=1S/C16H13N3O2/c1-11-10-16(18-15-5-3-2-4-14(11)15)17-12-6-8-13(9-7-12)19(20)21/h2-10H,1H3,(H,17,18) |
| InChIKey | MRMRXDQZJKQKIS-UHFFFAOYSA-N |
| Mol Weight | 279.3 g/mol |
| Molecular Formula | C16H13N3O2 |
| Exact Mass | 279.100777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K8GdAuC80Ze |
|---|---|
| Name | 4-Methyl-2-(p-nitroanilino)quinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.100776669 u |
| Formula | C16H13N3O2 |
| InChI | InChI=1S/C16H13N3O2/c1-11-10-16(18-15-5-3-2-4-14(11)15)17-12-6-8-13(9-7-12)19(20)21/h2-10H,1H3,(H,17,18) |
| InChIKey | MRMRXDQZJKQKIS-UHFFFAOYSA-N |
| SMILES | C1=2C(=CC=CC2)N=C(C=C1C)NC1=CC=C(C=C1)N(=O)=O |