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acetamide, N-(3-hydroxyphenyl)-2-[[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy]-
SpectraBase Compound ID icFpELIBSA
InChI InChI=1S/C25H21NO7/c1-15-25(33-21-9-4-3-8-20(21)30-2)24(29)19-11-10-18(13-22(19)32-15)31-14-23(28)26-16-6-5-7-17(27)12-16/h3-13,27H,14H2,1-2H3,(H,26,28)
InChIKey BMLSXSPGIWNYHX-UHFFFAOYSA-N
Mol Weight 447.44 g/mol
Molecular Formula C25H21NO7
Exact Mass 447.131802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GbdfNXe16U7
Name Acetamide, N-(3-hydroxyphenyl)-2-[[3-(2-methoxyphenoxy)-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 447.131802013 u
Formula C25H21NO7
InChI InChI=1S/C25H21NO7/c1-15-25(33-21-9-4-3-8-20(21)30-2)24(29)19-11-10-18(13-22(19)32-15)31-14-23(28)26-16-6-5-7-17(27)12-16/h3-13,27H,14H2,1-2H3,(H,26,28)
InChIKey BMLSXSPGIWNYHX-UHFFFAOYSA-N
Molecular Weight 447.443 g/mol
SMILES N(C(COC=1C=C2OC(=C(C(C2=CC1)=O)OC=1C(OC)=CC=CC1)C)=O)C1=CC(=CC=C1)O