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3-Methyl-2-(phenylseleno)-1-(p-toluenesulfonyl)-1,3-butadiene
SpectraBase Compound ID IU0gF6JGOam
InChI InChI=1S/C18H18O2SSe/c1-14(2)18(22-17-7-5-4-6-8-17)13-21(19,20)16-11-9-15(3)10-12-16/h4-13H,1H2,2-3H3/b18-13+
InChIKey KYAFYOGAYIDMBA-QGOAFFKASA-N
Mol Weight 377.37 g/mol
Molecular Formula C18H18O2SSe
Exact Mass 378.019273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIKb4zc66Db
Name 3-Methyl-2-(phenylseleno)-1-(p-toluenesulfonyl)-1,3-butadiene
CAS Registry Number 127381-34-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O2SSe
InChI InChI=1S/C18H18O2SSe/c1-14(2)18(22-17-7-5-4-6-8-17)13-21(19,20)16-11-9-15(3)10-12-16/h4-13H,1H2,2-3H3/b18-13+
InChIKey KYAFYOGAYIDMBA-QGOAFFKASA-N
Molecular Weight 377.372 g/mol
SMILES c1([Se]\C(=C\S(c2ccc(cc2)C)(=O)=O)C(=C)C)ccccc1
SPLASH splash10-052f-5900000000-9e6e72e11945de808c52
Source of Spectrum J-55-4600-12
Synonyms 1-Methyl-4-{[(1E)-3-methyl-2-(phenylselanyl)-1,3-butadienyl]sulfonyl}benzene 4-Methylphenyl (1E)-3-methyl-2-(phenylselanyl)-1,3-butadienyl sulfone
Wiley ID 1358598