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1-Bromo-3-methyl-1-[(2'-nitrobenzene)sulfinyl]-1,2-pentadiene
SpectraBase Compound ID H635is7fF99
InChI InChI=1S/C12H12BrNO3S/c1-3-9(2)8-12(13)18(17)11-7-5-4-6-10(11)14(15)16/h4-7H,3H2,1-2H3
InChIKey JAPNASQUKOVJIH-UHFFFAOYSA-N
Mol Weight 330.2 g/mol
Molecular Formula C12H12BrNO3S
Exact Mass 328.972127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtL0GInND13
Name 1-Bromo-3-methyl-1-[(2'-nitrobenzene)sulfinyl]-1,2-pentadiene
Alternate Name(s) 1-Bromo-3-methyl-1,2-pentadienyl 2-nitrophenyl sulfoxide 1-[(1-bromo-3-methyl-1,2-pentadienyl)sulfinyl]-2-nitrobenzene
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Formula C12H12BrNO3S
InChI InChI=1S/C12H12BrNO3S/c1-3-9(2)8-12(13)18(17)11-7-5-4-6-10(11)14(15)16/h4-7H,3H2,1-2H3
InChIKey JAPNASQUKOVJIH-UHFFFAOYSA-N
Molecular Weight 330.196 g/mol
SMILES C(S(c1c(N(=O)=O)cccc1)=O)(=C=C(CC)C)Br
SPLASH splash10-03di-0900000000-42e9406161e8ebe410db
Source of Spectrum U-1996-178-16
Wiley ID 768079