| SpectraBase Compound ID | 3aMs4tOhVKY |
|---|---|
| InChI | InChI=1S/C5H8N2O2/c1-2-5(3-6)4-7(8)9/h5H,2,4H2,1H3/t5-/m1/s1 |
| InChIKey | WLGHJOPARTXYLR-RXMQYKEDSA-N |
| Mol Weight | 128.13 g/mol |
| Molecular Formula | C5H8N2O2 |
| Exact Mass | 128.058578 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JYxn2JJWP5r |
|---|---|
| Name | (2S)-2-(nitromethyl)butanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H8N2O2 |
| InChI | InChI=1S/C5H8N2O2/c1-2-5(3-6)4-7(8)9/h5H,2,4H2,1H3/t5-/m1/s1 |
| InChIKey | WLGHJOPARTXYLR-RXMQYKEDSA-N |
| Molecular Weight | 128.131 g/mol |
| SMILES | C(N(=O)=O)[C@@](C#N)(CC)[H] |
| SPLASH | splash10-0a4i-9000000000-741d3ff012b236bbd126 |
| Source of Spectrum | SO-0-51-4 |
| Synonyms | (2S)-2-(nitromethyl)butyronitrile |
| Wiley ID | 873114 |