![N-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]benzamide](/api/spectrum/52zpklKvXRr/structure.png?h=300&w=458 "N-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]benzamide")
| SpectraBase Compound ID | 2Hz2tv8ncD3 |
|---|---|
| InChI | InChI=1S/C16H12N2O4/c19-15(17-16(20)13-4-2-1-3-5-13)11-8-12-6-9-14(10-7-12)18(21)22/h1-11H,(H,17,19,20)/b11-8+ |
| InChIKey | ARIJDVHUESKIMN-DHZHZOJOSA-N |
| Mol Weight | 296.28 g/mol |
| Molecular Formula | C16H12N2O4 |
| Exact Mass | 296.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52zpklKvXRr |
|---|---|
| Name | N-[(E)-3-(4-Nitrophenyl)-1-oxoprop-2-enyl]benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.079706870 u |
| Formula | C16H12N2O4 |
| InChI | InChI=1S/C16H12N2O4/c19-15(17-16(20)13-4-2-1-3-5-13)11-8-12-6-9-14(10-7-12)18(21)22/h1-11H,(H,17,19,20)/b11-8+ |
| InChIKey | ARIJDVHUESKIMN-DHZHZOJOSA-N |
| Molecular Weight | 296.282 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(\C=C\C(NC(=O)C=2C=CC=CC2)=O)C=C1 |