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Methyl 2-benzoyl-5-(hexylsulfanyl)biphenyl-3-carboxylate
SpectraBase Compound ID A1ZQRQeEGpg
InChI InChI=1S/C27H28O3S/c1-3-4-5-12-17-31-22-18-23(20-13-8-6-9-14-20)25(24(19-22)27(29)30-2)26(28)21-15-10-7-11-16-21/h6-11,13-16,18-19H,3-5,12,17H2,1-2H3
InChIKey DJXHBJZRFCBUAI-UHFFFAOYSA-N
Mol Weight 432.58 g/mol
Molecular Formula C27H28O3S
Exact Mass 432.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ntLgroZbyb
Name Methyl 2-benzoyl-5-(hexylsulfanyl)biphenyl-3-carboxylate
Alternate Name(s) Methyl 2-benzoyl-5-(hexylsulfanyl)[1,1'-biphenyl]-3-carboxylate 2-Benzoyl-5-(hexylthio)-3-phenylbenzoic acid methyl ester Methyl 2-benzoyl-5-hexylsulfanyl-3-phenylbenzoate Methyl 2-benzoyl-5-hexylsulfanyl-3-phenyl-benzoate Methyl 5-hexylsulfanyl-3-phenyl-2-(phenylcarbonyl)benzoate
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Formula C27H28O3S
InChI InChI=1S/C27H28O3S/c1-3-4-5-12-17-31-22-18-23(20-13-8-6-9-14-20)25(24(19-22)27(29)30-2)26(28)21-15-10-7-11-16-21/h6-11,13-16,18-19H,3-5,12,17H2,1-2H3
InChIKey DJXHBJZRFCBUAI-UHFFFAOYSA-N
Molecular Weight 432.578 g/mol
SMILES c1(c(c(cc(c1)SCCCCCC)C(=O)OC)C(c1ccccc1)=O)-c1ccccc1
SPLASH splash10-053r-0115900000-88a920206be4459aa842
Source of Spectrum J-64-6187-28
Wiley ID 1530768