![nicotinic acid, [(4-oxo-4H-1-benzopyran-3-yl)methylene]hydrazide](/api/spectrum/BvtXVJPGCEO/structure.png?h=300&w=458 "nicotinic acid, [(4-oxo-4H-1-benzopyran-3-yl)methylene]hydrazide")
| SpectraBase Compound ID | HLX4Z7bvKR2 |
|---|---|
| InChI | InChI=1S/C16H11N3O3/c20-15-12(10-22-14-6-2-1-5-13(14)15)9-18-19-16(21)11-4-3-7-17-8-11/h1-10H,(H,19,21)/b18-9+ |
| InChIKey | DAVIKTBRCQWOGT-GIJQJNRQSA-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 | BvtXVJPGCEO |
|---|---|
| Name | Nicotinic acid, [(4-oxo-4H-1-benzopyran-3-yl)methylene]hydrazide |
| 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/c20-15-12(10-22-14-6-2-1-5-13(14)15)9-18-19-16(21)11-4-3-7-17-8-11/h1-10H,(H,19,21)/b18-9+ |
| InChIKey | DAVIKTBRCQWOGT-GIJQJNRQSA-N |
| SMILES | N(\N=C\C=1C(C=2C=CC=CC2OC1)=O)C(C=1C=NC=CC1)=O |