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4'-O-Hexanoyldaidzein

View entire compound with spectra: 1 MS (GC)

4'-O-Hexanoyldaidzein
SpectraBase Compound ID FIw98woIQar
InChI InChI=1S/C21H20O5/c1-2-3-4-5-20(23)26-16-9-6-14(7-10-16)18-13-25-19-12-15(22)8-11-17(19)21(18)24/h6-13,22H,2-5H2,1H3
InChIKey QHOPMOMDTCSQMX-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bp2zaNeYwYL
Name 4'-O-Hexanoyldaidzein
Alternate Name(s) Hexanoic acid [4-(7-hydroxy-4-oxo-1-benzopyran-3-yl)phenyl] ester [4-(7-hydroxy-4-oxochromen-3-yl)phenyl] hexanoate [4-(7-hydroxy-4-oxo-chromen-3-yl)phenyl] hexanoate [4-(7-oxidanyl-4-oxidanylidene-chromen-3-yl)phenyl] hexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O5
InChI InChI=1S/C21H20O5/c1-2-3-4-5-20(23)26-16-9-6-14(7-10-16)18-13-25-19-12-15(22)8-11-17(19)21(18)24/h6-13,22H,2-5H2,1H3
InChIKey QHOPMOMDTCSQMX-UHFFFAOYSA-N
Molecular Weight 352.386 g/mol
SMILES Oc1cc2OC=C(C(c2cc1)=O)c1ccc(OC(=O)CCCCC)cc1
SPLASH splash10-0udi-0090000000-3fd599a27d4fbded54e1
Source of Spectrum U1-2008-5625-6a
Wiley ID 1662240