| SpectraBase Compound ID | A4lXuT2KJC9 |
|---|---|
| InChI | InChI=1S/C16H11N3O3/c20-16(12-5-3-6-14(9-12)19(21)22)18-13-8-11-4-1-2-7-15(11)17-10-13/h1-10H,(H,18,20) |
| InChIKey | BLFLQLYPRCSHIF-UHFFFAOYSA-N |
| Mol Weight | 293.28 g/mol |
| Molecular Formula | C16H11N3O3 |
| Exact Mass | 293.080041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BN2OlIwqNog |
|---|---|
| Name | Benzamide, 3-nitro-N-(3-quinolyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.080041223 u |
| Formula | C16H11N3O3 |
| InChI | InChI=1S/C16H11N3O3/c20-16(12-5-3-6-14(9-12)19(21)22)18-13-8-11-4-1-2-7-15(11)17-10-13/h1-10H,(H,18,20) |
| InChIKey | BLFLQLYPRCSHIF-UHFFFAOYSA-N |
| Molecular Weight | 293.282 g/mol |
| SMILES | C1=CC2=NC=C(NC(C3=CC(N(=O)=O)=CC=C3)=O)C=C2C=C1 |