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3-(Iodomethyl)-6,8-dibromocoumarin
SpectraBase Compound ID F3gr0ylZCNa
InChI InChI=1S/C10H5Br2IO2/c11-7-2-5-1-6(4-13)10(14)15-9(5)8(12)3-7/h1-3H,4H2
InChIKey BJTPRUBPCKHCKM-UHFFFAOYSA-N
Mol Weight 443.86 g/mol
Molecular Formula C10H5Br2IO2
Exact Mass 441.7701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80y1YKlDRHb
Name 3-(Iodomethyl)-6,8-dibromocoumarin
Comments Less than 3 mono-isotopic peaks
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Formula C10H5Br2IO2
InChI InChI=1S/C10H5Br2IO2/c11-7-2-5-1-6(4-13)10(14)15-9(5)8(12)3-7/h1-3H,4H2
InChIKey BJTPRUBPCKHCKM-UHFFFAOYSA-N
Molecular Weight 443.860 g/mol
SMILES C=1(C(Oc2c(C1)cc(cc2Br)Br)=O)CI
SPLASH splash10-014i-0009000000-417ed50c980498c22d80
Source of Spectrum CV-2002-2704-9
Synonyms 6,8-dibromo-3-(iodomethyl)-2H-chromen-2-one
Wiley ID 1610652