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3-(2-Bromo-3,4,5-trimethoxy-phenyl)-4,5,6-trimethoxy-3H-isobenzofuran-1-one
SpectraBase Compound ID 6tjATXmM6jk
InChI InChI=1S/C20H21BrO8/c1-23-11-7-9-13(18(27-5)16(11)25-3)15(29-20(9)22)10-8-12(24-2)17(26-4)19(28-6)14(10)21/h7-8,15H,1-6H3
InChIKey XZXICYCBMIIVFG-UHFFFAOYSA-N
Mol Weight 469.28 g/mol
Molecular Formula C20H21BrO8
Exact Mass 468.041981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rMZcqqdBQ
Name 3-(2-Bromo-3,4,5-trimethoxy-phenyl)-4,5,6-trimethoxy-3H-isobenzofuran-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21BrO8
InChI InChI=1S/C20H21BrO8/c1-23-11-7-9-13(18(27-5)16(11)25-3)15(29-20(9)22)10-8-12(24-2)17(26-4)19(28-6)14(10)21/h7-8,15H,1-6H3
InChIKey XZXICYCBMIIVFG-UHFFFAOYSA-N
Molecular Weight 469.284 g/mol
SMILES c12C(c3c(c(OC)c(c(c3)OC)OC)Br)OC(c1cc(c(c2OC)OC)OC)=O
SPLASH splash10-01b9-0110900000-2a549112ce80fcaecaac
Source of Spectrum D1-2002-930-2
Synonyms 3-(2-bromo-3,4,5-trimethoxyphenyl)-4,5,6-trimethoxy-2-benzofuran-1(3H)-one 5-[2'-Bromo-3',4',5'-trimethoxyphenyl]-4,5,6-trimethoxy-2,5-dihydrobenzofuran-2-one
Wiley ID 1548097