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1-(2'-Bromo-4',5'-dimethoxybenzyl)-6,7-dimethoxyisochroman-3-one
SpectraBase Compound ID H3049aceSXe
InChI InChI=1S/C20H21BrO6/c1-23-16-5-11-8-20(22)27-15(13(11)9-18(16)25-3)6-12-7-17(24-2)19(26-4)10-14(12)21/h5,7,9-10,15H,6,8H2,1-4H3
InChIKey HDFDGFRYYBEUAK-UHFFFAOYSA-N
Mol Weight 437.29 g/mol
Molecular Formula C20H21BrO6
Exact Mass 436.052151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32Sl8jN808
Name 1-(2'-Bromo-4',5'-dimethoxybenzyl)-6,7-dimethoxyisochroman-3-one
Alternate Name(s) 1-(2-bromo-4,5-dimethoxybenzyl)-6,7-dimethoxy-1,4-dihydro-3H-2-benzopyran-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21BrO6
InChI InChI=1S/C20H21BrO6/c1-23-16-5-11-8-20(22)27-15(13(11)9-18(16)25-3)6-12-7-17(24-2)19(26-4)10-14(12)21/h5,7,9-10,15H,6,8H2,1-4H3
InChIKey HDFDGFRYYBEUAK-UHFFFAOYSA-N
Molecular Weight 437.286 g/mol
SMILES c12C(OC(Cc2cc(c(c1)OC)OC)=O)Cc1c(cc(c(c1)OC)OC)Br
SPLASH splash10-056r-0890100000-f38345180cf79639e989
Source of Spectrum F-49-2787-2
Wiley ID 1383400