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6-Bromo-7-hydroxy-5-methoxyisobenzofuran-1(3H)-one
SpectraBase Compound ID 1K8A0FxeTEW
InChI InChI=1S/C9H7BrO4/c1-13-5-2-4-3-14-9(12)6(4)8(11)7(5)10/h2,11H,3H2,1H3
InChIKey UMPMBSKLMIWATM-UHFFFAOYSA-N
Mol Weight 259.05 g/mol
Molecular Formula C9H7BrO4
Exact Mass 257.952772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8V1wBR5mTsT
Name 6-Bromo-7-hydroxy-5-methoxyisobenzofuran-1(3H)-one
Alternate Name(s) 6-bromo-7-hydroxy-5-methoxy-3H-2-benzofuran-1-one 6-bromo-7-hydroxy-5-methoxy-3H-isobenzofuran-1-one 6-bromanyl-5-methoxy-7-oxidanyl-3H-2-benzofuran-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C9H7BrO4
InChI InChI=1S/C9H7BrO4/c1-13-5-2-4-3-14-9(12)6(4)8(11)7(5)10/h2,11H,3H2,1H3
InChIKey UMPMBSKLMIWATM-UHFFFAOYSA-N
Molecular Weight 259.055 g/mol
SMILES Oc1c2c(cc(OC)c1Br)COC2=O
SPLASH splash10-06w9-0090000000-ea9a6e0bd1e73aeb5e72
Source of Spectrum F-67-9090-1a
Wiley ID 1691194