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4-(4-Methoxy-N-methylphenylsulfonimidoyl)benzonitrile
SpectraBase Compound ID 2JePouXPo1E
InChI InChI=1S/C15H14N2O2S/c1-17-20(18,14-7-3-12(11-16)4-8-14)15-9-5-13(19-2)6-10-15/h3-10H,1-2H3
InChIKey XLYFKLPKYLMYJJ-UHFFFAOYSA-N
Mol Weight 286.35 g/mol
Molecular Formula C15H14N2O2S
Exact Mass 286.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6btWf6Sqa
Name 4-(4-Methoxy-N-methylphenylsulfonimidoyl)benzonitrile
Appearance Light yellow solid
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Exact Mass 286.077598871 u
Formula C15H14N2O2S
InChI InChI=1S/C15H14N2O2S/c1-17-20(18,14-7-3-12(11-16)4-8-14)15-9-5-13(19-2)6-10-15/h3-10H,1-2H3
InChIKey XLYFKLPKYLMYJJ-UHFFFAOYSA-N
Instrument Name Finnigan SSQ Finnigan 7000
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.3c00012
Quality 134
Reported Formula C15H14N2O2S
SMILES C1(S(C2=CC=C(C=C2)OC)(=NC)=O)=CC=C(C=C1)C#N
SPLASH splash10-0a4r-0910000000-3fbf02056bd5a39d2b88
Source of Spectrum JOC-88-SM5-1e (DOI: 10.1021/acs.joc.3c00012)
Wiley ID 1912672