| SpectraBase Compound ID | 22RpRciat6m |
|---|---|
| InChI | InChI=1S/C5H8N2O2/c1-5(2,3-4-6)7(8)9/h3H2,1-2H3 |
| InChIKey | JSLQWKLEWHAITD-UHFFFAOYSA-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 | 4BBY8M2uie |
|---|---|
| Name | 3-Methyl-3-nitrobutyronitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H8N2O2 |
| InChI | InChI=1S/C5H8N2O2/c1-5(2,3-4-6)7(8)9/h3H2,1-2H3 |
| InChIKey | JSLQWKLEWHAITD-UHFFFAOYSA-N |
| Molecular Weight | 128.131 g/mol |
| SMILES | C(N(=O)=O)(CC#N)(C)C |
| SPLASH | splash10-053r-9000000000-093cb23d82af42908a50 |
| Source of Spectrum | O-27-741-0 |
| Synonyms | 3-Methyl-3-nitrobutanenitrile |
| Wiley ID | 1130963 |