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4-[5-(4-Bromophenyl)furfurylidene]-2-(4-nitrophenyl)-2-oxazolin-5-one
SpectraBase Compound ID oFGFwdqf4X
InChI InChI=1S/C20H11BrN2O5/c21-14-5-1-12(2-6-14)18-10-9-16(27-18)11-17-20(24)28-19(22-17)13-3-7-15(8-4-13)23(25)26/h1-11H/b17-11+
InChIKey HKVLOUJTKMJTPP-GZTJUZNOSA-N
Mol Weight 439.22 g/mol
Molecular Formula C20H11BrN2O5
Exact Mass 437.985134 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSpYrCysDkQ
Name 4-[5-(4-Bromophenyl)furfurylidene]-2-(4-nitrophenyl)-2-oxazolin-5-one
Comments Computed using HOSE algorithm
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Exact Mass 437.985134457 u
Formula C20H11BrN2O5
InChI InChI=1S/C20H11BrN2O5/c21-14-5-1-12(2-6-14)18-10-9-16(27-18)11-17-20(24)28-19(22-17)13-3-7-15(8-4-13)23(25)26/h1-11H/b17-11+
InChIKey HKVLOUJTKMJTPP-GZTJUZNOSA-N
Molecular Weight 439.221 g/mol
SMILES C1(\C(N=C(O1)c1ccc(cc1)N(=O)=O)=C/C1=CC=C(O1)c1ccc(cc1)Br)=O