| SpectraBase Compound ID | EjsojtGyACA |
|---|---|
| InChI | InChI=1S/C14H9N3O3/c15-8-10-3-1-2-4-13(10)16-9-11-7-12(17(19)20)5-6-14(11)18/h1-7,9,18H/b16-9+ |
| InChIKey | PNZXVFDVDMCCEB-CXUHLZMHSA-N |
| Mol Weight | 267.24 g/mol |
| Molecular Formula | C14H9N3O3 |
| Exact Mass | 267.064391 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DjUVXty68gH |
|---|---|
| Name | Benzonitrile, 2-(2-hydroxy-5-nitrobenzylidenamino)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.064391159 u |
| Formula | C14H9N3O3 |
| InChI | InChI=1S/C14H9N3O3/c15-8-10-3-1-2-4-13(10)16-9-11-7-12(17(19)20)5-6-14(11)18/h1-7,9,18H/b16-9+ |
| InChIKey | PNZXVFDVDMCCEB-CXUHLZMHSA-N |
| Molecular Weight | 267.244 g/mol |
| SMILES | C1=C(C=CC(=C1\C=N\C1=CC=CC=C1C#N)O)N(=O)=O |