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acetamide, N-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy]-
SpectraBase Compound ID FTRng5N05Q4
InChI InChI=1S/C27H23NO6/c1-16(29)18-4-8-20(9-5-18)28-25(30)15-33-22-12-13-23-24(14-22)34-17(2)26(27(23)31)19-6-10-21(32-3)11-7-19/h4-14H,15H2,1-3H3,(H,28,30)
InChIKey LNCCSMAYFZFZKV-UHFFFAOYSA-N
Mol Weight 457.48 g/mol
Molecular Formula C27H23NO6
Exact Mass 457.152537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4PKuvxW6mps
Name Acetamide, N-(4-acetylphenyl)-2-[[3-(4-methoxyphenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.152537459 u
Formula C27H23NO6
InChI InChI=1S/C27H23NO6/c1-16(29)18-4-8-20(9-5-18)28-25(30)15-33-22-12-13-23-24(14-22)34-17(2)26(27(23)31)19-6-10-21(32-3)11-7-19/h4-14H,15H2,1-3H3,(H,28,30)
InChIKey LNCCSMAYFZFZKV-UHFFFAOYSA-N
Molecular Weight 457.482 g/mol
SMILES N(C(COC=1C=C2OC(=C(C(C2=CC1)=O)C=1C=CC(=CC1)OC)C)=O)C=1C=CC(C(=O)C)=CC1