| SpectraBase Compound ID | 6GyKPKNBnpJ |
|---|---|
| InChI | InChI=1S/C9H6N2O3/c10-6-5-9(12)7-1-3-8(4-2-7)11(13)14/h1-4H,5H2 |
| InChIKey | DXYPCBNFJFSXFY-UHFFFAOYSA-N |
| Mol Weight | 190.16 g/mol |
| Molecular Formula | C9H6N2O3 |
| Exact Mass | 190.037842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ix0zemflUND |
|---|---|
| Name | (p-Nitrobenzoyl)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.037842058 u |
| Formula | C9H6N2O3 |
| InChI | InChI=1S/C9H6N2O3/c10-6-5-9(12)7-1-3-8(4-2-7)11(13)14/h1-4H,5H2 |
| InChIKey | DXYPCBNFJFSXFY-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)N(=O)=O)C(CC#N)=O |