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1-([1,1'-biphenyl]-4-yl)-3-(benzylthio)-3-(3,4-dimethoxyphenyl)propan-1-one
SpectraBase Compound ID Aw6pendxKZQ
InChI InChI=1S/C30H28O3S/c1-32-28-18-17-26(19-29(28)33-2)30(34-21-22-9-5-3-6-10-22)20-27(31)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-19,30H,20-21H2,1-2H3
InChIKey RCIJOKUNOFHMRV-UHFFFAOYSA-N
Mol Weight 468.61 g/mol
Molecular Formula C30H28O3S
Exact Mass 468.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bf16PeJ7qbE
Name 1-([1,1'-biphenyl]-4-yl)-3-(benzylthio)-3-(3,4-dimethoxyphenyl)propan-1-one
Appearance Pale yellow crystals
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Formula C30H28O3S
InChI InChI=1S/C30H28O3S/c1-32-28-18-17-26(19-29(28)33-2)30(34-21-22-9-5-3-6-10-22)20-27(31)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-19,30H,20-21H2,1-2H3
InChIKey RCIJOKUNOFHMRV-UHFFFAOYSA-N
Instrument Name Shimadzu QP-1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4017
Molecular Weight 468.611 g/mol
SMILES c1(ccc(cc1)C(CC(c1cc(c(cc1)OC)OC)SCc1ccccc1)=O)-c1ccccc1
SPLASH splash10-002f-1009000000-42fca72f1b49c597cefc
Source of Spectrum Y-57-SM52-20
Wiley ID 1860299