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2-Benzoyl-5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-3-methyl-benzoic acid methyl ester
SpectraBase Compound ID 5tnPTmwm2fJ
InChI InChI=1S/C24H19BrO4S/c1-15-12-19(30-14-21(26)16-8-10-18(25)11-9-16)13-20(24(28)29-2)22(15)23(27)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3
InChIKey JLZOBGJMEFWBAF-UHFFFAOYSA-N
Mol Weight 483.38 g/mol
Molecular Formula C24H19BrO4S
Exact Mass 482.018743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFCXnW7klfF
Name 2-Benzoyl-5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-3-methyl-benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H19BrO4S
InChI InChI=1S/C24H19BrO4S/c1-15-12-19(30-14-21(26)16-8-10-18(25)11-9-16)13-20(24(28)29-2)22(15)23(27)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3
InChIKey JLZOBGJMEFWBAF-UHFFFAOYSA-N
Molecular Weight 483.376 g/mol
SMILES C(c1c(c(cc(c1)SCC(=O)c1ccc(cc1)Br)C)C(c1ccccc1)=O)(=O)OC
SPLASH splash10-001i-0400900000-a5de1404454944ef6197
Source of Spectrum J-64-6188-37
Synonyms 2-Benzoyl-5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-methylbenzoic acid methyl ester Methyl 5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-2-(phenylcarbonyl)benzoate Methyl 2-benzoyl-5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-methylbenzoate
Wiley ID 1530759