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4-Methyl-2-phenylseleno-1-(p-toluenesulfonyl)-1,4-cyclohexadiene
SpectraBase Compound ID KZaPiuXOb7B
InChI InChI=1S/C20H20O2SSe/c1-15-8-11-17(12-9-15)23(21,22)19-13-10-16(2)14-20(19)24-18-6-4-3-5-7-18/h3-12H,13-14H2,1-2H3
InChIKey MVAVTUPHAWYWKF-UHFFFAOYSA-N
Mol Weight 403.41 g/mol
Molecular Formula C20H20O2SSe
Exact Mass 404.034923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xgUCD9Kw5R
Name 4-Methyl-2-phenylseleno-1-(p-toluenesulfonyl)-1,4-cyclohexadiene
Alternate Name(s) 1-Methyl-4-{[4-methyl-2-(phenylselanyl)-1,4-cyclohexadien-1-yl]sulfonyl}benzene 4-Methylphenyl 4-methyl-2-(phenylselanyl)-1,4-cyclohexadien-1-yl sulfone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O2SSe
InChI InChI=1S/C20H20O2SSe/c1-15-8-11-17(12-9-15)23(21,22)19-13-10-16(2)14-20(19)24-18-6-4-3-5-7-18/h3-12H,13-14H2,1-2H3
InChIKey MVAVTUPHAWYWKF-UHFFFAOYSA-N
Molecular Weight 403.410 g/mol
SMILES C1(=C(CC(=CC1)C)[Se]c1ccccc1)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-00kf-9500300000-9e3065a68cc7fe5a6c66
Source of Spectrum J-64-7430-9
Wiley ID 1531085