| SpectraBase Compound ID | LL7CLL37Cfn |
|---|---|
| InChI | InChI=1S/C7H11NO/c1-6(2)5-7(9)3-4-8/h6H,3,5H2,1-2H3 |
| InChIKey | MWTCJTAGNBZWSO-UHFFFAOYSA-N |
| Mol Weight | 125.17 g/mol |
| Molecular Formula | C7H11NO |
| Exact Mass | 125.084064 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8IF7vJvS58m |
|---|---|
| Name | 5-Methyl-3-oxohexanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H11NO |
| InChI | InChI=1S/C7H11NO/c1-6(2)5-7(9)3-4-8/h6H,3,5H2,1-2H3 |
| InChIKey | MWTCJTAGNBZWSO-UHFFFAOYSA-N |
| Molecular Weight | 125.171 g/mol |
| SMILES | CC(C)CC(=O)CC#N |
| SPLASH | splash10-052o-9000000000-93c327e9111392118bea |
| Source of Spectrum | UY-2018-399-0 |
| Wiley ID | 1808739 |