| SpectraBase Compound ID | 2M7jYxqeCR6 |
|---|---|
| InChI | InChI=1S/C14H8BrNO3/c15-10-5-3-9(4-6-10)13-16-12(14(17)19-13)8-11-2-1-7-18-11/h1-8H/b12-8+ |
| InChIKey | CEUKGIXHGCKZOW-XYOKQWHBSA-N |
| Mol Weight | 318.13 g/mol |
| Molecular Formula | C14H8BrNO3 |
| Exact Mass | 316.968756 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1NZ1GKbp1Av |
|---|---|
| Name | (4E)-2-(4-Bromophenyl)-4-(2-furylmethylene)-1,3-oxazol-5(4H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.968756119 u |
| Formula | C14H8BrNO3 |
| InChI | InChI=1S/C14H8BrNO3/c15-10-5-3-9(4-6-10)13-16-12(14(17)19-13)8-11-2-1-7-18-11/h1-8H/b12-8+ |
| InChIKey | CEUKGIXHGCKZOW-XYOKQWHBSA-N |
| Molecular Weight | 318.126 g/mol |
| SMILES | C1=C(Br)C=CC(C2=N\C(C(=O)O2)=C/C=2OC=CC2)=C1 |