![N-[(4'-Chloropheny)acetyl]fumaroylamide](/api/spectrum/4Ugcbh1ANBO/structure.png?h=300&w=458 "N-[(4'-Chloropheny)acetyl]fumaroylamide")
| SpectraBase Compound ID | DveEJeVlNCV |
|---|---|
| InChI | InChI=1S/C12H11ClN2O3/c13-9-3-1-8(2-4-9)7-12(18)15-11(17)6-5-10(14)16/h1-6H,7H2,(H2,14,16)(H,15,17,18)/b6-5+ |
| InChIKey | VHPUUHXXNAUXOK-AATRIKPKSA-N |
| Mol Weight | 266.68 g/mol |
| Molecular Formula | C12H11ClN2O3 |
| Exact Mass | 266.04582 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Ugcbh1ANBO |
|---|---|
| Name | N-[(4'-Chloropheny)acetyl]fumaroylamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.045819919 u |
| Formula | C12H11ClN2O3 |
| InChI | InChI=1S/C12H11ClN2O3/c13-9-3-1-8(2-4-9)7-12(18)15-11(17)6-5-10(14)16/h1-6H,7H2,(H2,14,16)(H,15,17,18)/b6-5+ |
| InChIKey | VHPUUHXXNAUXOK-AATRIKPKSA-N |
| Molecular Weight | 266.684 g/mol |
| SMILES | C(NC(\C=C\C(=O)N)=O)(=O)CC=1C=CC(=CC1)Cl |