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2-Butene-1,4-dione, 1-(4-methylphenyl)-2,3,4-triphenyl-
SpectraBase Compound ID GFVE7qKohNy
InChI InChI=1S/C23H30O4S/c1-3-4-5-6-10-13-21(23(25)22(24)19-11-8-7-9-12-19)28(26,27)20-16-14-18(2)15-17-20/h7-9,11-12,14-17,21,23,25H,3-6,10,13H2,1-2H3
InChIKey YBAKJXHPLONAHP-UHFFFAOYSA-N
Mol Weight 402.55 g/mol
Molecular Formula C23H30O4S
Exact Mass 402.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHH2ti7V00c
Name 2-Butene-1,4-dione, 1-(4-methylphenyl)-2,3,4-triphenyl-
Alternate Name(s) 2-Hydroxy-1-phenyl-3-tosyldecan-1-one 2-Hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-1-decanone 2-Hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyldecan-1-one 2-Hydroxy-1-phenyl-3-(p-tolylsulfonyl)decan-1-one 3-(4-Methylphenyl)sulfonyl-2-oxidanyl-1-phenyl-decan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O4S
InChI InChI=1S/C23H30O4S/c1-3-4-5-6-10-13-21(23(25)22(24)19-11-8-7-9-12-19)28(26,27)20-16-14-18(2)15-17-20/h7-9,11-12,14-17,21,23,25H,3-6,10,13H2,1-2H3
InChIKey YBAKJXHPLONAHP-UHFFFAOYSA-N
Molecular Weight 402.549 g/mol
SMILES OC(C(CCCCCCC)S(=O)(=O)c1ccc(C)cc1)C(=O)c1ccccc1
SPLASH splash10-0a4i-4910000000-52dddb522c8b5485fad9
Source of Spectrum JX-2015-4-28
Wiley ID 1725486