| SpectraBase Compound ID | CJ5DAsH3LRw |
|---|---|
| InChI | InChI=1S/C9H8N2O2/c10-7-3-5-8-4-1-2-6-9(8)11(12)13/h1-2,4,6H,3,5H2 |
| InChIKey | NLELPJNIJLWQNT-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 | BBc25Vw2ouo |
|---|---|
| Name | 3-(2-Nitrophenyl)propanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8N2O2 |
| InChI | InChI=1S/C9H8N2O2/c10-7-3-5-8-4-1-2-6-9(8)11(12)13/h1-2,4,6H,3,5H2 |
| InChIKey | NLELPJNIJLWQNT-UHFFFAOYSA-N |
| Molecular Weight | 176.175 g/mol |
| SMILES | c1(N(=O)=O)c(CCC#N)cccc1 |
| SPLASH | splash10-0fb9-9100000000-103279935be74447b5e7 |
| Source of Spectrum | J-63-957-16 |
| Wiley ID | 1172155 |