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Warfarin 4-methyl ether
SpectraBase Compound ID HpnNLWeM9q2
InChI InChI=1S/C20H18O4/c1-13(21)12-16(14-8-4-3-5-9-14)18-19(23-2)15-10-6-7-11-17(15)24-20(18)22/h3-11,16H,12H2,1-2H3
InChIKey FGAWENWBTHQLEE-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C20H18O4
Exact Mass 322.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fM5M1MMXaA
Name Warfarin methylated
Alternate Name(s) 3-(3-keto-1-phenyl-butyl)-4-methoxy-coumarin 4-Methoxy-3-(3-oxidanylidene-1-phenyl-butyl)chromen-2-one 4-Methoxy-3-(3-oxo-1-phenyl-butyl)chromen-2-one 4-Methoxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one 4-Methoxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
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Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-13(21)12-16(14-8-4-3-5-9-14)18-19(23-2)15-10-6-7-11-17(15)24-20(18)22/h3-11,16H,12H2,1-2H3
InChIKey FGAWENWBTHQLEE-UHFFFAOYSA-N
Molecular Weight 322.360 g/mol
SMILES C1(=C(c2ccccc2OC1=O)OC)C(CC(=O)C)c1ccccc1
SPLASH splash10-004l-6790000000-3bf764d078a1277ba44a
Source of Spectrum JZ-1992-617-0
Wiley ID 1321900