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(2RS,3RS)-and (2SR,3RS)-3-Methyl-1-phenyl-2,4,4-tris(phenylthio)hexanal
SpectraBase Compound ID 9MZR3eXicB3
InChI InChI=1S/C31H30OS3/c1-3-31(34-27-20-12-6-13-21-27,35-28-22-14-7-15-23-28)24(2)30(33-26-18-10-5-11-19-26)29(32)25-16-8-4-9-17-25/h4-24,30H,3H2,1-2H3
InChIKey CVDNUXUCIAMHCF-UHFFFAOYSA-N
Mol Weight 514.76 g/mol
Molecular Formula C31H30OS3
Exact Mass 514.145879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZyG4OU5WS
Name (2RS,3RS)-and (2SR,3RS)-3-Methyl-1-phenyl-2,4,4-tris(phenylthio)hexanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H30OS3
InChI InChI=1S/C31H30OS3/c1-3-31(34-27-20-12-6-13-21-27,35-28-22-14-7-15-23-28)24(2)30(33-26-18-10-5-11-19-26)29(32)25-16-8-4-9-17-25/h4-24,30H,3H2,1-2H3
InChIKey CVDNUXUCIAMHCF-UHFFFAOYSA-N
Molecular Weight 514.760 g/mol
SMILES C(C(C(C(=O)c1ccccc1)Sc1ccccc1)C)(Sc1ccccc1)(Sc1ccccc1)CC
SPLASH splash10-01ox-7920000000-ab5dfebd2422006074e3
Source of Spectrum KC-0-2964-28
Synonyms 3-Methyl-1-phenyl-2,4,4-tris(phenylsulfanyl)-1-hexanone
Wiley ID 782366