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4-(Dibenzoylmethylene)-1-(p-toluenesulfonylmethylimino)-2,3-diphenyl-2-cyclobutene
SpectraBase Compound ID Dr8f7AuGBce
InChI InChI=1S/C39H29NO4S/c1-27-22-24-32(25-23-27)45(43,44)26-40-37-34(29-16-8-3-9-17-29)33(28-14-6-2-7-15-28)35(37)36(38(41)30-18-10-4-11-19-30)39(42)31-20-12-5-13-21-31/h2-25H,26H2,1H3/b40-37+
InChIKey MXCFMYFLVVWBIE-UKRDSVFVSA-N
Mol Weight 607.7 g/mol
Molecular Formula C39H29NO4S
Exact Mass 607.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxlAQWzZe9Y
Name 4-(Dibenzoylmethylene)-1-(p-toluenesulfonylmethylimino)-2,3-diphenyl-2-cyclobutene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H29NO4S
InChI InChI=1S/C39H29NO4S/c1-27-22-24-32(25-23-27)45(43,44)26-40-37-34(29-16-8-3-9-17-29)33(28-14-6-2-7-15-28)35(37)36(38(41)30-18-10-4-11-19-30)39(42)31-20-12-5-13-21-31/h2-25H,26H2,1H3/b40-37+
InChIKey MXCFMYFLVVWBIE-UKRDSVFVSA-N
Molecular Weight 607.724 g/mol
SMILES C=1(\C(C(C1c1ccccc1)=C(C(c1ccccc1)=O)C(c1ccccc1)=O)=N/CS(=O)(=O)c1ccc(cc1)C)c1ccccc1
SPLASH splash10-0a4i-6900100000-87a9a1438f8370cb57f9
Source of Spectrum SO-0-620-3
Synonyms 2-[(4E)-4-({(E)-[(4-methylphenyl)sulfonyl]methyl}imino)-2,3-diphenyl-2-cyclobuten-1-ylidene]-1,3-diphenyl-1,3-propanedione
Wiley ID 1539487