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6-Phenyl-3-(p-tolylsulfonyl)-1,4-hexadiene
SpectraBase Compound ID ItvVPIeYUuR
InChI InChI=1S/C19H20O2S/c1-3-18(11-7-10-17-8-5-4-6-9-17)22(20,21)19-14-12-16(2)13-15-19/h3-9,11-15,18H,1,10H2,2H3/b11-7+
InChIKey QFMCBJSBEQRXIH-YRNVUSSQSA-N
Mol Weight 312.43 g/mol
Molecular Formula C19H20O2S
Exact Mass 312.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IiDH2CPcwf1
Name 6-Phenyl-3-(p-tolylsulfonyl)-1,4-hexadiene
Alternate Name(s) 1-Methyl-4-{[(2E)-4-phenyl-1-vinyl-2-butenyl]sulfonyl}benzene 4-Methylphenyl (2E)-4-phenyl-1-vinyl-2-butenyl sulfone
CAS Registry Number 117734-88-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O2S
InChI InChI=1S/C19H20O2S/c1-3-18(11-7-10-17-8-5-4-6-9-17)22(20,21)19-14-12-16(2)13-15-19/h3-9,11-15,18H,1,10H2,2H3/b11-7+
InChIKey QFMCBJSBEQRXIH-YRNVUSSQSA-N
Molecular Weight 312.427 g/mol
SMILES c1(S(C(\C=C\Cc2ccccc2)C=C)(=O)=O)ccc(cc1)C
SPLASH splash10-052f-9600000000-52de186f745262982de5
Source of Spectrum J-54-125-12
Wiley ID 1313466