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(4Z)-2-(4-chlorophenyl)-4-[4-(hexyloxy)benzylidene]-1,3-oxazol-5(4H)-one
SpectraBase Compound ID HVxJKbfee2l
InChI InChI=1S/C22H22ClNO3/c1-2-3-4-5-14-26-19-12-6-16(7-13-19)15-20-22(25)27-21(24-20)17-8-10-18(23)11-9-17/h6-13,15H,2-5,14H2,1H3/b20-15-
InChIKey SEOBFZBSSDXNPH-HKWRFOASSA-N
Mol Weight 383.88 g/mol
Molecular Formula C22H22ClNO3
Exact Mass 383.128821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID vliBofUE5H
Name (4Z)-2-(4-Chlorophenyl)-4-[4-(hexyloxy)benzylidene]-1,3-oxazol-5(4H)-one
Comments Computed using HOSE algorithm
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Exact Mass 383.128821269 u
Formula C22H22ClNO3
InChI InChI=1S/C22H22ClNO3/c1-2-3-4-5-14-26-19-12-6-16(7-13-19)15-20-22(25)27-21(24-20)17-8-10-18(23)11-9-17/h6-13,15H,2-5,14H2,1H3/b20-15-
InChIKey SEOBFZBSSDXNPH-HKWRFOASSA-N
Molecular Weight 383.875 g/mol
SMILES CCCCCCOC1=CC=C(\C=C\2N=C(OC2=O)C2=CC=C(C=C2)Cl)C=C1