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4-[2-(3-Methylbenzyloxy-benzylidene]-2-(3-nitrophenyl)-4H-oxazol-5-one
SpectraBase Compound ID FqBUOEp1vh9
InChI InChI=1S/C24H18N2O5/c1-16-6-4-7-17(12-16)15-30-22-11-3-2-8-18(22)14-21-24(27)31-23(25-21)19-9-5-10-20(13-19)26(28)29/h2-14H,15H2,1H3/b21-14-
InChIKey QDRILDRALREJBG-STZFKDTASA-N
Mol Weight 414.42 g/mol
Molecular Formula C24H18N2O5
Exact Mass 414.121572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzqZ7J06Peh
Name 4-[2-(3-Methylbenzyloxy-benzylidene]-2-(3-nitrophenyl)-4H-oxazol-5-one
Comments Computed using HOSE algorithm
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Exact Mass 414.121571683 u
Formula C24H18N2O5
InChI InChI=1S/C24H18N2O5/c1-16-6-4-7-17(12-16)15-30-22-11-3-2-8-18(22)14-21-24(27)31-23(25-21)19-9-5-10-20(13-19)26(28)29/h2-14H,15H2,1H3/b21-14-
InChIKey QDRILDRALREJBG-STZFKDTASA-N
Molecular Weight 414.417 g/mol
SMILES C=1(OC(=O)\C(N1)=C\C=1C(OCC2=CC(=CC=C2)C)=CC=CC1)C1=CC=CC(=C1)N(=O)=O