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3-BROM-4-HYDROXYCOUMARIN
SpectraBase Compound ID IueQnfH3cup
InChI InChI=1S/C9H5BrO3/c10-7-8(11)5-3-1-2-4-6(5)13-9(7)12/h1-4,11H
InChIKey JHXCCDBMPGIEQX-UHFFFAOYSA-N
Mol Weight 241.04 g/mol
Molecular Formula C9H5BrO3
Exact Mass 239.942207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdpG5OI0eu4
Name 3-Bromo-4-hydroxycoumarin
Alternate Name(s) 3-bromo-4-hydroxy-1-benzopyran-2-one 3-bromo-4-hydroxychromen-2-one 3-bromo-4-hydroxy-chromen-2-one 3-bromanyl-4-oxidanyl-chromen-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C9H5BrO3
InChI InChI=1S/C9H5BrO3/c10-7-8(11)5-3-1-2-4-6(5)13-9(7)12/h1-4,11H
InChIKey JHXCCDBMPGIEQX-UHFFFAOYSA-N
Molecular Weight 241.040 g/mol
SMILES OC1=C(C(Oc2ccccc12)=O)Br
SPLASH splash10-03di-0090000000-708b8d0e8d8f89e83940
Source of Spectrum F4-42-1632-11
Wiley ID 1674040