| SpectraBase Compound ID | 3LGnD80nF6y |
|---|---|
| InChI | InChI=1S/C6H7NO2/c7-5-3-1-2-4-6(8)9/h2,4H,1,3H2,(H,8,9)/b4-2+ |
| InChIKey | HXQAWOPVFFYFCG-DUXPYHPUSA-N |
| Mol Weight | 125.13 g/mol |
| Molecular Formula | C6H7NO2 |
| Exact Mass | 125.047678 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7ovXK1wToT5 |
|---|---|
| Name | (E)-5-Cyano-2-pentenoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H7NO2 |
| InChI | InChI=1S/C6H7NO2/c7-5-3-1-2-4-6(8)9/h2,4H,1,3H2,(H,8,9)/b4-2+ |
| InChIKey | HXQAWOPVFFYFCG-DUXPYHPUSA-N |
| Molecular Weight | 125.127 g/mol |
| SMILES | OC(\C=C\CCC#N)=O |
| SPLASH | splash10-0pc0-9200000000-56bbb1842588b6ade3c1 |
| Source of Spectrum | F-50-6719-3 |
| Synonyms | (E)-5-cyanopent-2-enoic acid |
| Wiley ID | 1129329 |