![2-Butenoic acid, 4-[(2-chlorophenyl)amino]-4-oxo-, (Z)-](/api/spectrum/CkmBFWMSwyw/structure.png?h=300&w=458 "2-Butenoic acid, 4-[(2-chlorophenyl)amino]-4-oxo-, (Z)-")
| SpectraBase Compound ID | BcM1RbqYMiY |
|---|---|
| InChI | InChI=1S/C10H8ClNO3/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)/b6-5+ |
| InChIKey | YZGAQJUBGHWISG-AATRIKPKSA-N |
| Mol Weight | 225.63 g/mol |
| Molecular Formula | C10H8ClNO3 |
| Exact Mass | 225.019271 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CkmBFWMSwyw |
|---|---|
| Name | 2-Butenoic acid, 4-[(2-chlorophenyl)amino]-4-oxo-, (Z)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.019270819 u |
| Formula | C10H8ClNO3 |
| InChI | InChI=1S/C10H8ClNO3/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)/b6-5+ |
| InChIKey | YZGAQJUBGHWISG-AATRIKPKSA-N |
| Molecular Weight | 225.631 g/mol |
| SMILES | C(=O)(NC1=C(C=CC=C1)Cl)\C=C\C(=O)O |