| SpectraBase Compound ID | 35nYwZTFnQf |
|---|---|
| InChI | InChI=1S/C9H6N2O3/c10-9(12)6-3-7-1-4-8(5-2-7)11(13)14/h1-2,4-5H,(H2,10,12) |
| InChIKey | VWFHGJNGWZLBEF-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 | 8nMpEOehuGt |
|---|---|
| Name | 3-(4-Nitrophenyl)prop-2-ynamide |
| 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/c10-9(12)6-3-7-1-4-8(5-2-7)11(13)14/h1-2,4-5H,(H2,10,12) |
| InChIKey | VWFHGJNGWZLBEF-UHFFFAOYSA-N |
| Molecular Weight | 190.158 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(C#CC(=O)N)C=C1 |