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Ethanone, 1-[5-(methylthio)-2-nitrophenyl]-
SpectraBase Compound ID GpL8Ty9xdFN
InChI InChI=1S/C9H9NO3S/c1-6(11)8-5-7(14-2)3-4-9(8)10(12)13/h3-5H,1-2H3
InChIKey MCGHSLFZLHZTOS-UHFFFAOYSA-N
Mol Weight 211.23 g/mol
Molecular Formula C9H9NO3S
Exact Mass 211.030314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPXayfeXqgt
Name Ethanone, 1-[5-(methylthio)-2-nitrophenyl]-
Alternate Name(s) 1-(5-(methylthio)-2-nitrophenyl)ethanone 1-[5-(methylsulfanyl)-2-nitrophenyl]ethanone 1-[5-(methylthio)-2-nitrophenyl]ethanone 1-(5-Methylsulfanyl-2-nitrophenyl)ethanone 1-(5-Methylsulfanyl-2-nitro-phenyl)ethanone
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Formula C9H9NO3S
InChI InChI=1S/C9H9NO3S/c1-6(11)8-5-7(14-2)3-4-9(8)10(12)13/h3-5H,1-2H3
InChIKey MCGHSLFZLHZTOS-UHFFFAOYSA-N
Molecular Weight 211.235 g/mol
SMILES CSc1ccc([N+]([O-])=O)c(c1)C(C)=O
SPLASH splash10-03dm-8940000000-c3f5cefafcf71ac40f65
Source of Spectrum JX-2015-0-71
Wiley ID 1720062