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5,5-Dimethyl-2-phenylseleno-1-(p-toluenesulfonyl)-1-hexene
SpectraBase Compound ID FA9nZ72AHwr
InChI InChI=1S/C21H26O2SSe/c1-17-10-12-18(13-11-17)24(22,23)16-20(14-15-21(2,3)4)25-19-8-6-5-7-9-19/h5-13,16H,14-15H2,1-4H3/b20-16+
InChIKey ZBXDFJRRBPEQAN-CAPFRKAQSA-N
Mol Weight 421.47 g/mol
Molecular Formula C21H26O2SSe
Exact Mass 422.081873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzwuNID8JOw
Name 5,5-Dimethyl-2-phenylseleno-1-(p-toluenesulfonyl)-1-hexene
Alternate Name(s) (1E)-5,5-dimethyl-2-(phenylselanyl)-1-hexenyl 4-methylphenyl sulfone 1-{[(1E)-5,5-dimethyl-2-(phenylselanyl)-1-hexenyl]sulfonyl}-4-methylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O2SSe
InChI InChI=1S/C21H26O2SSe/c1-17-10-12-18(13-11-17)24(22,23)16-20(14-15-21(2,3)4)25-19-8-6-5-7-9-19/h5-13,16H,14-15H2,1-4H3/b20-16+
InChIKey ZBXDFJRRBPEQAN-CAPFRKAQSA-N
Molecular Weight 421.469 g/mol
SMILES c1([Se]\C(=C\S(c2ccc(cc2)C)(=O)=O)CCC(C)(C)C)ccccc1
SPLASH splash10-0a4i-9320000000-75b93b53b78313e4c681
Source of Spectrum J-63-7916-10
Wiley ID 1378518