| SpectraBase Compound ID | 96GCDlVGwVZ |
|---|---|
| InChI | InChI=1S/C6H9NO2/c1-5(4-7)3-6(8)9-2/h5H,3H2,1-2H3 |
| InChIKey | IEMPSQXUZSEHEN-UHFFFAOYSA-N |
| Mol Weight | 127.14 g/mol |
| Molecular Formula | C6H9NO2 |
| Exact Mass | 127.063329 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IJogGE1RjnW |
|---|---|
| Name | Methyl 3-cyanobutanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H9NO2 |
| InChI | InChI=1S/C6H9NO2/c1-5(4-7)3-6(8)9-2/h5H,3H2,1-2H3 |
| InChIKey | IEMPSQXUZSEHEN-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/adsc.201600287 |
| Molecular Weight | 127.143 g/mol |
| SMILES | C(CC(C)C#N)(=O)OC |
| SPLASH | splash10-01ba-9000000000-a379eccfb80128a526dc |
| Source of Spectrum | ASC-358-2134/SM15-3l |
| Wiley ID | 1807445 |