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2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile
SpectraBase Compound ID 5c4MpzMqkHC
InChI InChI=1S/C16H12N2O2S/c17-9-11-19-13-1-5-15(6-2-13)21-16-7-3-14(4-8-16)20-12-10-18/h1-8H,11-12H2
InChIKey OYQDPOLJVNCNMM-UHFFFAOYSA-N
Mol Weight 296.34 g/mol
Molecular Formula C16H12N2O2S
Exact Mass 296.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaEnuKSalEZ
Name 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]acetonitrile
Alternate Name(s) 2-[4-[4-(Cyanomethoxy)phenyl]sulfanylphenoxy]ethanenitrile 2-[4-[[4-(Cyanomethoxy)phenyl]thio]phenoxy]acetonitrile
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Formula C16H12N2O2S
InChI InChI=1S/C16H12N2O2S/c17-9-11-19-13-1-5-15(6-2-13)21-16-7-3-14(4-8-16)20-12-10-18/h1-8H,11-12H2
InChIKey OYQDPOLJVNCNMM-UHFFFAOYSA-N
Molecular Weight 296.344 g/mol
SMILES C(#N)COc1ccc(Sc2ccc(cc2)OCC#N)cc1
SPLASH splash10-0a4i-1290000000-33e536fd11b9f96dc754
Source of Spectrum RB-1982-16320-0
Wiley ID 109530