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6-(3',4'-DIMETHOXYPHENYL)-METHYL-3-METHOXY-4-(4''-METHOXYPHENYL)-2H-PYRAN-2,5(6H)-DIONE
SpectraBase Compound ID CITDOoxlnqY
InChI InChI=1S/C22H22O7/c1-25-15-8-6-14(7-9-15)19-20(23)18(29-22(24)21(19)28-4)12-13-5-10-16(26-2)17(11-13)27-3/h5-11,18H,12H2,1-4H3
InChIKey IBSJDJULHKUMAM-UHFFFAOYSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4a4zO2EBWGF
Name 3-Methoxy-4-(4-methoxyphenyl)-6-veratryl-pyran-2,5-quinone
CAS Registry Number 114590-91-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-25-15-8-6-14(7-9-15)19-20(23)18(29-22(24)21(19)28-4)12-13-5-10-16(26-2)17(11-13)27-3/h5-11,18H,12H2,1-4H3
InChIKey IBSJDJULHKUMAM-UHFFFAOYSA-N
Molecular Weight 398.411 g/mol
SMILES C1(=C(C(=O)OC(C1=O)Cc1cc(OC)c(cc1)OC)OC)c1ccc(cc1)OC
SPLASH splash10-0006-9200000000-108779ba55af599be22b
Source of Spectrum B-43-1516-18
Synonyms 6-[(3,4-dimethoxyphenyl)methyl]-3-methoxy-4-(4-methoxyphenyl)pyran-2,5-dione
Wiley ID 1368399