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4H-1-Benzopyran-4-one, 3-(acetyloxy)-2,3-dihydro-2,7-dimethoxy-3-(4-methoxyphenyl)-, trans-(.+-.)-
SpectraBase Compound ID JPTkcRXqqYR
InChI InChI=1S/C20H20O7/c1-12(21)27-20(13-5-7-14(23-2)8-6-13)18(22)16-10-9-15(24-3)11-17(16)26-19(20)25-4/h5-11,19H,1-4H3
InChIKey OEXJQLHXVWMOKX-UHFFFAOYSA-N
Mol Weight 372.37 g/mol
Molecular Formula C20H20O7
Exact Mass 372.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMMctOPQuyz
Name 4H-1-Benzopyran-4-one, 3-(acetyloxy)-2,3-dihydro-2,7-dimethoxy-3-(4-methoxyphenyl)-, trans-(.+-.)-
CAS Registry Number 113434-85-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O7
InChI InChI=1S/C20H20O7/c1-12(21)27-20(13-5-7-14(23-2)8-6-13)18(22)16-10-9-15(24-3)11-17(16)26-19(20)25-4/h5-11,19H,1-4H3
InChIKey OEXJQLHXVWMOKX-UHFFFAOYSA-N
Molecular Weight 372.373 g/mol
SMILES C1(C(c2ccc(cc2OC1OC)OC)=O)(OC(=O)C)c1ccc(cc1)OC
SPLASH splash10-0089-0930000000-46e773acbd0ee09370a7
Source of Spectrum KC-1987-1085-10
Synonyms 2,7-Dimethoxy-3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl acetate 3-Acetoxy-2,4',7-trimethoxy-isoflavanone
Wiley ID 1355403