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QIJMJBZCGWRVCT-UHFFFAOYSA-N
SpectraBase Compound ID 4vOiTmU3vMA
InChI InChI=1S/C13H12Br2O2/c1-2-7-13(14,15)11-8-9-5-3-4-6-10(9)12(16)17-11/h3-6,8H,2,7H2,1H3
InChIKey QIJMJBZCGWRVCT-UHFFFAOYSA-N
Mol Weight 360.05 g/mol
Molecular Formula C13H12Br2O2
Exact Mass 357.920406 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GPrSRJznQJL
Name 3-(1,1-dibromobutyl)-2-benzopyran-1-one
Alternate Name(s) 3-(1,1-dibromobutyl)isochromen-1-one 3-(1,1-Dibromobutyl)isocoumarin 3-[1,1-bis(bromanyl)butyl]isochromen-1-one
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Formula C13H12Br2O2
InChI InChI=1S/C13H12Br2O2/c1-2-7-13(14,15)11-8-9-5-3-4-6-10(9)12(16)17-11/h3-6,8H,2,7H2,1H3
InChIKey QIJMJBZCGWRVCT-UHFFFAOYSA-N
Molecular Weight 360.045 g/mol
SMILES C=1(OC(=O)c2c(C1)cccc2)C(Br)(Br)CCC
SPLASH splash10-002k-5940000000-036c25d783f39041a567
Source of Spectrum AH-134-1201-3
Wiley ID 1546948