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Methyl 5-(4-Chlorophenylsulfonyl)-2-hydroxy-4,4'-dimethylbiphenyl-3-carboxylate
SpectraBase Compound ID 1gPYengFC36
InChI InChI=1S/C22H19ClO5S/c1-13-4-6-15(7-5-13)18-12-19(14(2)20(21(18)24)22(25)28-3)29(26,27)17-10-8-16(23)9-11-17/h4-12,24H,1-3H3
InChIKey WIWWIEJTSFYRLB-UHFFFAOYSA-N
Mol Weight 430.9 g/mol
Molecular Formula C22H19ClO5S
Exact Mass 430.064173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmwoaZB3k05
Name Methyl 5-(4-Chlorophenylsulfonyl)-2-hydroxy-4,4'-dimethylbiphenyl-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19ClO5S
InChI InChI=1S/C22H19ClO5S/c1-13-4-6-15(7-5-13)18-12-19(14(2)20(21(18)24)22(25)28-3)29(26,27)17-10-8-16(23)9-11-17/h4-12,24H,1-3H3
InChIKey WIWWIEJTSFYRLB-UHFFFAOYSA-N
Molecular Weight 430.902 g/mol
SMILES Oc1c(cc(S(c2ccc(cc2)Cl)(=O)=O)c(c1C(=O)OC)C)-c1ccc(cc1)C
SPLASH splash10-000b-5729500000-513e2d4b5339e91f5ceb
Source of Spectrum F4-41-2233-4aa
Wiley ID 1672576