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2-Oxo-2-phenylethyl 4-{[(3,4-dimethylphenyl)sulfonyl]methyl}benzoate
SpectraBase Compound ID I4bSK4ntIj7
InChI InChI=1S/C24H22O5S/c1-17-8-13-22(14-18(17)2)30(27,28)16-19-9-11-21(12-10-19)24(26)29-15-23(25)20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3
InChIKey JDHINLNYPUMJTL-UHFFFAOYSA-N
Mol Weight 422.5 g/mol
Molecular Formula C24H22O5S
Exact Mass 422.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4iORbDrXUpt
Name 2-Oxo-2-phenylethyl 4-{[(3,4-dimethylphenyl)sulfonyl]methyl}benzoate
Alternate Name(s) 4-(3,4-Dimethyl-benzenesulfonylmethyl)-benzoic acid 2-oxo-2-phenyl-ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22O5S
InChI InChI=1S/C24H22O5S/c1-17-8-13-22(14-18(17)2)30(27,28)16-19-9-11-21(12-10-19)24(26)29-15-23(25)20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3
InChIKey JDHINLNYPUMJTL-UHFFFAOYSA-N
Molecular Weight 422.495 g/mol
SMILES c1ccc(C(COC(c2ccc(CS(c3cc(C)c(cc3)C)(=O)=O)cc2)=O)=O)cc1
SPLASH splash10-0zfr-8980100000-dca8f4b46cc0c895bbcf
Wiley ID 1447176