| SpectraBase Compound ID | 3SzBNPC2kvr |
|---|---|
| InChI | InChI=1S/C9H5F2NO/c10-7-2-1-6(5-8(7)11)9(13)3-4-12/h1-2,5H,3H2 |
| InChIKey | DMUDJKIYVPYJNF-UHFFFAOYSA-N |
| Mol Weight | 181.14 g/mol |
| Molecular Formula | C9H5F2NO |
| Exact Mass | 181.03392 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9II6EHLnGFr |
|---|---|
| Name | 3-(3,4-Difluorophenyl)-3-oxopropanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H5F2NO |
| InChI | InChI=1S/C9H5F2NO/c10-7-2-1-6(5-8(7)11)9(13)3-4-12/h1-2,5H,3H2 |
| InChIKey | DMUDJKIYVPYJNF-UHFFFAOYSA-N |
| Molecular Weight | 181.142 g/mol |
| SMILES | c1(F)ccc(cc1F)C(=O)CC#N |
| SPLASH | splash10-01ox-2900000000-17b99d6f3fc3de1b0da2 |
| Source of Spectrum | UY-2018-288-0 |
| Wiley ID | 1808686 |