| SpectraBase Compound ID | Dca0FgMSrHW |
|---|---|
| InChI | InChI=1S/C7H9NO2/c1-6(5-8)3-2-4-7(9)10/h2,4,6H,3H2,1H3,(H,9,10)/b4-2+ |
| InChIKey | YNMHKBKHJLCHHH-DUXPYHPUSA-N |
| Mol Weight | 139.15 g/mol |
| Molecular Formula | C7H9NO2 |
| Exact Mass | 139.063329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BHJl7OB7oJ7 |
|---|---|
| Name | (E)-5-Cyano-2-hexenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.063328532 u |
| Formula | C7H9NO2 |
| InChI | InChI=1S/C7H9NO2/c1-6(5-8)3-2-4-7(9)10/h2,4,6H,3H2,1H3,(H,9,10)/b4-2+ |
| InChIKey | YNMHKBKHJLCHHH-DUXPYHPUSA-N |
| Molecular Weight | 139.154 g/mol |
| SMILES | C(#N)C(C\C=C\C(=O)O)C |