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acetamide, N-(2-hydroxy-5-methylphenyl)-2-[(2-methyl-4-oxo-3-phenyl-4H-1-benzopyran-7-yl)oxy]-
SpectraBase Compound ID 490nqwsOQFk
InChI InChI=1S/C25H21NO5/c1-15-8-11-21(27)20(12-15)26-23(28)14-30-18-9-10-19-22(13-18)31-16(2)24(25(19)29)17-6-4-3-5-7-17/h3-13,27H,14H2,1-2H3,(H,26,28)
InChIKey ZMSZJLFMGZOIJH-UHFFFAOYSA-N
Mol Weight 415.45 g/mol
Molecular Formula C25H21NO5
Exact Mass 415.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJlhmBxFDrS
Name Acetamide, N-(2-hydroxy-5-methylphenyl)-2-[(2-methyl-4-oxo-3-phenyl-4H-1-benzopyran-7-yl)oxy]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.141972775 u
Formula C25H21NO5
InChI InChI=1S/C25H21NO5/c1-15-8-11-21(27)20(12-15)26-23(28)14-30-18-9-10-19-22(13-18)31-16(2)24(25(19)29)17-6-4-3-5-7-17/h3-13,27H,14H2,1-2H3,(H,26,28)
InChIKey ZMSZJLFMGZOIJH-UHFFFAOYSA-N
Molecular Weight 415.445 g/mol
SMILES N(C=1C(=CC=C(C1)C)O)C(COC=1C=C2OC(=C(C(C2=CC1)=O)C1=CC=CC=C1)C)=O