| SpectraBase Compound ID | 4CH3QWyjuuz |
|---|---|
| InChI | InChI=1S/C9H8N2O2/c10-7-1-2-8-3-5-9(6-4-8)11(12)13/h3-6H,1-2H2 |
| InChIKey | GVBCIYYRQGBBPO-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C9H8N2O2 |
| Exact Mass | 176.058578 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2DnF89ltQ9B |
|---|---|
| Name | 3-(4-Nitrophenyl)propanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8N2O2 |
| InChI | InChI=1S/C9H8N2O2/c10-7-1-2-8-3-5-9(6-4-8)11(12)13/h3-6H,1-2H2 |
| InChIKey | GVBCIYYRQGBBPO-UHFFFAOYSA-N |
| Molecular Weight | 176.175 g/mol |
| SMILES | c1(N(=O)=O)ccc(cc1)CCC#N |
| SPLASH | splash10-002r-1900000000-7b557f06fd1389230764 |
| Source of Spectrum | J-63-957-16 |
| Synonyms | 3-(4-Nitrophenyl)propionitrile |
| Wiley ID | 1172154 |