| SpectraBase Compound ID | 37zbQEIVJLZ |
|---|---|
| InChI | InChI=1S/C8H11NO2/c1-3-4-8(11)7(5-9)6(2)10/h7H,3-4H2,1-2H3 |
| InChIKey | KXOOQLSJACAVEV-UHFFFAOYSA-N |
| Mol Weight | 153.18 g/mol |
| Molecular Formula | C8H11NO2 |
| Exact Mass | 153.078979 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4DUy1vkDKhE |
|---|---|
| Name | 3-Cyanohepta-2,4-dione |
| Alternate Name(s) | 2-Acetyl-3-oxohexanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H11NO2 |
| InChI | InChI=1S/C8H11NO2/c1-3-4-8(11)7(5-9)6(2)10/h7H,3-4H2,1-2H3 |
| InChIKey | KXOOQLSJACAVEV-UHFFFAOYSA-N |
| Molecular Weight | 153.181 g/mol |
| SMILES | CC(C(C(CCC)=O)C#N)=O |
| SPLASH | splash10-0006-9300000000-2cddf88804a5a4959cd7 |
| Source of Spectrum | C5-2004-404-7 |
| Wiley ID | 1616642 |