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4,5-Dimethyl-1-phenylseleno-2-(p-toluenesulfonyl)-1,4-cyclohexadiene
SpectraBase Compound ID IldnyVmmLOR
InChI InChI=1S/C21H22O2SSe/c1-15-9-11-18(12-10-15)24(22,23)20-13-16(2)17(3)14-21(20)25-19-7-5-4-6-8-19/h4-12H,13-14H2,1-3H3
InChIKey VGPZZWOOVXQUNS-UHFFFAOYSA-N
Mol Weight 417.44 g/mol
Molecular Formula C21H22O2SSe
Exact Mass 418.050573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9dB7emNdhQX
Name 4,5-Dimethyl-1-phenylseleno-2-(p-toluenesulfonyl)-1,4-cyclohexadiene
Alternate Name(s) 1-{[4,5-dimethyl-2-(phenylselanyl)-1,4-cyclohexadien-1-yl]sulfonyl}-4-methylbenzene 4,5-Dimethyl-2-(phenylselanyl)-1,4-cyclohexadien-1-yl 4-methylphenyl sulfone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O2SSe
InChI InChI=1S/C21H22O2SSe/c1-15-9-11-18(12-10-15)24(22,23)20-13-16(2)17(3)14-21(20)25-19-7-5-4-6-8-19/h4-12H,13-14H2,1-3H3
InChIKey VGPZZWOOVXQUNS-UHFFFAOYSA-N
Molecular Weight 417.437 g/mol
SMILES C1(=C(CC(=C(C1)C)C)S(=O)(=O)c1ccc(cc1)C)[Se]c1ccccc1
SPLASH splash10-0006-9400000000-171407bc73db7116ac17
Source of Spectrum J-64-7430-3
Wiley ID 1531090