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2-Benzylsulfonyl-4,6-diphenoxybenzonitrile
SpectraBase Compound ID 9FzVz9rZTJf
InChI InChI=1S/C26H19NO4S/c27-18-24-25(31-22-14-8-3-9-15-22)16-23(30-21-12-6-2-7-13-21)17-26(24)32(28,29)19-20-10-4-1-5-11-20/h1-17H,19H2
InChIKey KRLGAXWPQGNKFX-UHFFFAOYSA-N
Mol Weight 441.5 g/mol
Molecular Formula C26H19NO4S
Exact Mass 441.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sgaDl0VjZu
Name 2-Benzylsulfonyl-4,6-diphenoxybenzonitrile
Alternate Name(s) 2,4-Diphenoxy-6-(phenylmethyl)sulfonyl-benzenecarbonitrile 2,4-Diphenoxy-6-(phenylmethyl)sulfonylbenzonitrile 2-Benzylsulfonyl-4,6-diphenoxy-benzonitrile
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Formula C26H19NO4S
InChI InChI=1S/C26H19NO4S/c27-18-24-25(31-22-14-8-3-9-15-22)16-23(30-21-12-6-2-7-13-21)17-26(24)32(28,29)19-20-10-4-1-5-11-20/h1-17H,19H2
InChIKey KRLGAXWPQGNKFX-UHFFFAOYSA-N
Molecular Weight 441.501 g/mol
SMILES C(c1c(cc(cc1Oc1ccccc1)Oc1ccccc1)S(=O)(=O)Cc1ccccc1)#N
SPLASH splash10-0006-9002000000-0d9bd83561bd92ca33da
Source of Spectrum H1-68-1117-10
Wiley ID 1593546