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2,4-Diphenoxy-6-(phenylmethylsulfanyl)benzenecarbonitrile
SpectraBase Compound ID JpyUV84uhEa
InChI InChI=1S/C26H19NO2S/c27-18-24-25(29-22-14-8-3-9-15-22)16-23(28-21-12-6-2-7-13-21)17-26(24)30-19-20-10-4-1-5-11-20/h1-17H,19H2
InChIKey KLTMEDSNKSOIBP-UHFFFAOYSA-N
Mol Weight 409.5 g/mol
Molecular Formula C26H19NO2S
Exact Mass 409.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMlasRbA78n
Name 2,4-Diphenoxy-6-(phenylmethylsulfanyl)benzenecarbonitrile
Alternate Name(s) Benzonitrile, 2-benzylthio-4,6-di(phenoxy)- 2,4-Diphenoxy-6-(phenylmethylthio)benzonitrile 2-Benzylsulfanyl-4,6-diphenoxy-benzonitrile 2-(benzylthio)-4,6-diphenoxy-benzonitrile 2-Benzylsulfanyl-4,6-diphenoxybenzonitrile
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Formula C26H19NO2S
InChI InChI=1S/C26H19NO2S/c27-18-24-25(29-22-14-8-3-9-15-22)16-23(28-21-12-6-2-7-13-21)17-26(24)30-19-20-10-4-1-5-11-20/h1-17H,19H2
InChIKey KLTMEDSNKSOIBP-UHFFFAOYSA-N
Molecular Weight 409.503 g/mol
SMILES c1(c(cc(Oc2ccccc2)cc1SCc1ccccc1)Oc1ccccc1)C#N
SPLASH splash10-0006-9111200000-e06b473cf2cfe80c8dd8
Wiley ID 1457615