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Methyl 3-(4-Chlorophenylsulfonyl)-5-heptyl-6-hydroxy-2-methylbenzoate
SpectraBase Compound ID GWgXEcnvdsH
InChI InChI=1S/C22H27ClO5S/c1-4-5-6-7-8-9-16-14-19(15(2)20(21(16)24)22(25)28-3)29(26,27)18-12-10-17(23)11-13-18/h10-14,24H,4-9H2,1-3H3
InChIKey CJPIZBGQBBVNJH-UHFFFAOYSA-N
Mol Weight 438.97 g/mol
Molecular Formula C22H27ClO5S
Exact Mass 438.126773 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fluVZetHtu
Name Methyl 3-(4-Chlorophenylsulfonyl)-5-heptyl-6-hydroxy-2-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27ClO5S
InChI InChI=1S/C22H27ClO5S/c1-4-5-6-7-8-9-16-14-19(15(2)20(21(16)24)22(25)28-3)29(26,27)18-12-10-17(23)11-13-18/h10-14,24H,4-9H2,1-3H3
InChIKey CJPIZBGQBBVNJH-UHFFFAOYSA-N
Molecular Weight 438.966 g/mol
SMILES Oc1c(cc(S(c2ccc(cc2)Cl)(=O)=O)c(c1C(=O)OC)C)CCCCCCC
SPLASH splash10-00di-3029300000-0180291a47cc8547aeca
Source of Spectrum F4-41-2232-4x
Wiley ID 1672579