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(4Z)-2-(4-bromophenyl)-4-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-1,3-oxazol-5-one
SpectraBase Compound ID CwIPqJlaAHz
InChI InChI=1S/C18H11BrN2O4/c19-14-8-6-13(7-9-14)17-20-16(18(22)25-17)3-1-2-12-4-10-15(11-5-12)21(23)24/h1-11H/b2-1+,16-3-
InChIKey OMRIQJBFBNZLNW-HMFGGZQFSA-N
Mol Weight 399.2 g/mol
Molecular Formula C18H11BrN2O4
Exact Mass 397.99022 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yZVhFZKJtZ
Name (4Z)-2-(4-Bromophenyl)-4-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-1,3-oxazol-5-one
Comments Computed using HOSE algorithm
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Exact Mass 397.990219838 u
Formula C18H11BrN2O4
InChI InChI=1S/C18H11BrN2O4/c19-14-8-6-13(7-9-14)17-20-16(18(22)25-17)3-1-2-12-4-10-15(11-5-12)21(23)24/h1-11H/b2-1+,16-3-
InChIKey OMRIQJBFBNZLNW-HMFGGZQFSA-N
Molecular Weight 399.200 g/mol
SMILES C1(OC(=N\C1=C\C=C\C1=CC=C(C=C1)N(=O)=O)C1=CC=C(C=C1)Br)=O