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Methyl 4-Butyl-2-hydroxy-4'-methyl-5-(phenylsulfonyl)biphenyl-3-carboxylate
SpectraBase Compound ID Hzgjj9VW5XB
InChI InChI=1S/C25H26O5S/c1-4-5-11-20-22(31(28,29)19-9-7-6-8-10-19)16-21(18-14-12-17(2)13-15-18)24(26)23(20)25(27)30-3/h6-10,12-16,26H,4-5,11H2,1-3H3
InChIKey DNGBAVYHLXNLER-UHFFFAOYSA-N
Mol Weight 438.54 g/mol
Molecular Formula C25H26O5S
Exact Mass 438.150095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYtafT5H4dR
Name Methyl 4-Butyl-2-hydroxy-4'-methyl-5-(phenylsulfonyl)biphenyl-3-carboxylate
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Formula C25H26O5S
InChI InChI=1S/C25H26O5S/c1-4-5-11-20-22(31(28,29)19-9-7-6-8-10-19)16-21(18-14-12-17(2)13-15-18)24(26)23(20)25(27)30-3/h6-10,12-16,26H,4-5,11H2,1-3H3
InChIKey DNGBAVYHLXNLER-UHFFFAOYSA-N
Molecular Weight 438.538 g/mol
SMILES Oc1c(cc(S(=O)(=O)c2ccccc2)c(c1C(=O)OC)CCCC)-c1ccc(cc1)C
SPLASH splash10-0a4i-0200900000-97b72b67e9085f79e402
Source of Spectrum F4-41-2233-4ad
Wiley ID 1672573