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1-(2-bromobenzyl)-6,7-dimethoxy-isochroman-3-one
SpectraBase Compound ID KbA7z4lGSKb
InChI InChI=1S/C18H17BrO4/c1-21-16-8-12-9-18(20)23-15(13(12)10-17(16)22-2)7-11-5-3-4-6-14(11)19/h3-6,8,10,15H,7,9H2,1-2H3
InChIKey OFLYHBBHXAFOGZ-UHFFFAOYSA-N
Mol Weight 377.23 g/mol
Molecular Formula C18H17BrO4
Exact Mass 376.031022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9dabkBBXPJL
Name 1-(2-bromobenzyl)-6,7-dimethoxy-isochroman-3-one
Alternate Name(s) 1-[(2-bromophenyl)methyl]-6,7-dimethoxy-1,4-dihydroisochromen-3-one 1-[(2-bromophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-3-one 1-[(2-bromophenyl)methyl]-6,7-dimethoxy-isochroman-3-one
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Formula C18H17BrO4
InChI InChI=1S/C18H17BrO4/c1-21-16-8-12-9-18(20)23-15(13(12)10-17(16)22-2)7-11-5-3-4-6-14(11)19/h3-6,8,10,15H,7,9H2,1-2H3
InChIKey OFLYHBBHXAFOGZ-UHFFFAOYSA-N
Molecular Weight 377.234 g/mol
SMILES c12C(OC(Cc2cc(c(c1)OC)OC)=O)Cc1c(Br)cccc1
SPLASH splash10-056r-0950000000-6ea9fa52238b5e8d7c2b
Source of Spectrum F-49-2787-2
Wiley ID 1357534