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2-Butene-1,4-dione, 1-(4-methylphenyl)-2,3,4-triphenyl-

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LutBfRUhBKu
Name 1-Decanone, 2-hydroxy-3-[(4-methylphenyl)sulfonyl]-1-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.186480616 u
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 CCCCCCCC(C(O)C(=O)C1=CC=CC=C1)S(=O)(=O)C1=CC=C(C=C1)C