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acetamide, N-(3-acetylphenyl)-2-[(2-methyl-4-oxo-3-phenyl-4H-1-benzopyran-7-yl)oxy]-
SpectraBase Compound ID FyFgD1TK36U
InChI InChI=1S/C26H21NO5/c1-16(28)19-9-6-10-20(13-19)27-24(29)15-31-21-11-12-22-23(14-21)32-17(2)25(26(22)30)18-7-4-3-5-8-18/h3-14H,15H2,1-2H3,(H,27,29)
InChIKey TVQVBYPEYJZANF-UHFFFAOYSA-N
Mol Weight 427.46 g/mol
Molecular Formula C26H21NO5
Exact Mass 427.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8K6HZXMBHml
Name Acetamide, N-(3-acetylphenyl)-2-[(2-methyl-4-oxo-3-phenyl-4H-1-benzopyran-7-yl)oxy]-
Comments Computed using HOSE algorithm
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Exact Mass 427.141972775 u
Formula C26H21NO5
InChI InChI=1S/C26H21NO5/c1-16(28)19-9-6-10-20(13-19)27-24(29)15-31-21-11-12-22-23(14-21)32-17(2)25(26(22)30)18-7-4-3-5-8-18/h3-14H,15H2,1-2H3,(H,27,29)
InChIKey TVQVBYPEYJZANF-UHFFFAOYSA-N
Molecular Weight 427.456 g/mol
SMILES N(C(COC=1C=C2OC(=C(C(C2=CC1)=O)C1=CC=CC=C1)C)=O)C1=CC(C(=O)C)=CC=C1