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2-Benzylsulfinyl-4,6-dimethoxybenzonitrile
SpectraBase Compound ID GOdhnYGdGy4
InChI InChI=1S/C16H15NO3S/c1-19-13-8-15(20-2)14(10-17)16(9-13)21(18)11-12-6-4-3-5-7-12/h3-9H,11H2,1-2H3
InChIKey KWILYIMBXVJHMO-UHFFFAOYSA-N
Mol Weight 301.36 g/mol
Molecular Formula C16H15NO3S
Exact Mass 301.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3CXptzfzvc
Name 2-Benzylsulfinyl-4,6-dimethoxybenzonitrile
Alternate Name(s) 2,4-Dimethoxy-6-phenylmethanesulfinyl-benzonitrile 2,4-Dimethoxy-6-(phenylmethyl)sulfinyl-benzenecarbonitrile 2,4-Dimethoxy-6-(phenylmethyl)sulfinylbenzonitrile 2-Benzylsulfinyl-4,6-dimethoxy-benzonitrile
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Formula C16H15NO3S
InChI InChI=1S/C16H15NO3S/c1-19-13-8-15(20-2)14(10-17)16(9-13)21(18)11-12-6-4-3-5-7-12/h3-9H,11H2,1-2H3
InChIKey KWILYIMBXVJHMO-UHFFFAOYSA-N
Molecular Weight 301.360 g/mol
SMILES c1(c(S(Cc2ccccc2)=O)cc(cc1OC)OC)C#N
SPLASH splash10-0006-9000000000-afb256850913c3ddfa7e
Wiley ID 1458744