![2-Butenoic acid, 4-[(4-chloro-2-methyl-phenyl)amino]-4-oxo-, (Z)-](/api/spectrum/7HCbYHPVhlg/structure.png?h=300&w=458 "2-Butenoic acid, 4-[(4-chloro-2-methyl-phenyl)amino]-4-oxo-, (Z)-")
| SpectraBase Compound ID | 2xLzziXXPfY |
|---|---|
| InChI | InChI=1S/C11H10ClNO3/c1-7-6-8(12)2-3-9(7)13-10(14)4-5-11(15)16/h2-6H,1H3,(H,13,14)(H,15,16)/b5-4+ |
| InChIKey | DIZAIWRTXVZYTM-SNAWJCMRSA-N |
| Mol Weight | 239.66 g/mol |
| Molecular Formula | C11H10ClNO3 |
| Exact Mass | 239.034921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7HCbYHPVhlg |
|---|---|
| Name | 2-Butenoic acid, 4-[(4-chloro-2-methyl-phenyl)amino]-4-oxo-, (Z)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.034920883 u |
| Formula | C11H10ClNO3 |
| InChI | InChI=1S/C11H10ClNO3/c1-7-6-8(12)2-3-9(7)13-10(14)4-5-11(15)16/h2-6H,1H3,(H,13,14)(H,15,16)/b5-4+ |
| InChIKey | DIZAIWRTXVZYTM-SNAWJCMRSA-N |
| Molecular Weight | 239.658 g/mol |
| SMILES | N(C1=CC=C(C=C1C)Cl)C(\C=C\C(O)=O)=O |