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6-Bromanyl-3,4-dimethoxy-2-oxidanyl-cyclohepta-2,4,6-trien-1-one
SpectraBase Compound ID Ck2Jt0JqwJW
InChI InChI=1S/C9H9BrO4/c1-13-7-4-5(10)3-6(11)8(12)9(7)14-2/h3-4H,1-2H3,(H,11,12)
InChIKey SYAVXEFNIFPGNA-UHFFFAOYSA-N
Mol Weight 261.07 g/mol
Molecular Formula C9H9BrO4
Exact Mass 259.968422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnlMd0leVHo
Name 6-Bromanyl-3,4-dimethoxy-2-oxidanyl-cyclohepta-2,4,6-trien-1-one
Alternate Name(s) 6-Bromo-2-hydroxy-3,4-dimethoxy-1-cyclohepta-2,4,6-trienone 6-Bromo-2-hydroxy-3,4-dimethoxy-cyclohepta-2,4,6-trien-1-one
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Formula C9H9BrO4
InChI InChI=1S/C9H9BrO4/c1-13-7-4-5(10)3-6(11)8(12)9(7)14-2/h3-4H,1-2H3,(H,11,12)
InChIKey SYAVXEFNIFPGNA-UHFFFAOYSA-N
Molecular Weight 261.071 g/mol
SMILES OC1=C(C(=CC(Br)=CC1=O)OC)OC
SPLASH splash10-03di-0390000000-549a638633af843bc359
Source of Spectrum KC-1993-1919-28
Wiley ID 778536