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Methyl 4'-Chloro-5-(4-chlorophenylsulfonyl)-2-hydroxy-4-methylbiphenyl-3-carboxylate
SpectraBase Compound ID 8bKZNcIwsSy
InChI InChI=1S/C21H16Cl2O5S/c1-12-18(29(26,27)16-9-7-15(23)8-10-16)11-17(13-3-5-14(22)6-4-13)20(24)19(12)21(25)28-2/h3-11,24H,1-2H3
InChIKey BTQKQCLGXWIBMX-UHFFFAOYSA-N
Mol Weight 451.32 g/mol
Molecular Formula C21H16Cl2O5S
Exact Mass 450.00955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLvf4CuspDU
Name Methyl 4'-Chloro-5-(4-chlorophenylsulfonyl)-2-hydroxy-4-methylbiphenyl-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16Cl2O5S
InChI InChI=1S/C21H16Cl2O5S/c1-12-18(29(26,27)16-9-7-15(23)8-10-16)11-17(13-3-5-14(22)6-4-13)20(24)19(12)21(25)28-2/h3-11,24H,1-2H3
InChIKey BTQKQCLGXWIBMX-UHFFFAOYSA-N
Molecular Weight 451.320 g/mol
SMILES Oc1c(cc(S(c2ccc(cc2)Cl)(=O)=O)c(c1C(=O)OC)C)-c1ccc(cc1)Cl
SPLASH splash10-01b9-1200900000-6e42e1052494c34f4dac
Source of Spectrum F4-41-2232-4z
Wiley ID 1672577