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(4Z)-4-[4-(allyloxy)-2-bromo-5-methoxybenzylidene]-2-phenyl-1,3-oxazol-5(4H)-one
SpectraBase Compound ID Ef5dIHIn6ym
InChI InChI=1S/C20H16BrNO4/c1-3-9-25-18-12-15(21)14(11-17(18)24-2)10-16-20(23)26-19(22-16)13-7-5-4-6-8-13/h3-8,10-12H,1,9H2,2H3/b16-10-
InChIKey WHVIFNWYHMFMMT-YBEGLDIGSA-N
Mol Weight 414.26 g/mol
Molecular Formula C20H16BrNO4
Exact Mass 413.026271 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wqwpr2C0lq
Name (4Z)-4-[4-(Allyloxy)-2-bromo-5-methoxybenzylidene]-2-phenyl-1,3-oxazol-5(4H)-one
Comments Computed using HOSE algorithm
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Exact Mass 413.026270995 u
Formula C20H16BrNO4
InChI InChI=1S/C20H16BrNO4/c1-3-9-25-18-12-15(21)14(11-17(18)24-2)10-16-20(23)26-19(22-16)13-7-5-4-6-8-13/h3-8,10-12H,1,9H2,2H3/b16-10-
InChIKey WHVIFNWYHMFMMT-YBEGLDIGSA-N
Molecular Weight 414.255 g/mol
SMILES C1=CC=C(C2=N\C(C(=O)O2)=C\C=2C(=CC(=C(C2)OC)OCC=C)Br)C=C1