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4-(diethylamino)-3-methyl-6-(methylthio)-5-phenyl-benzene-1,2-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 1mrhVrrfoqK
InChI InChI=1S/C22H27NO4S/c1-7-23(8-2)19-14(3)16(21(24)26-4)18(22(25)27-5)20(28-6)17(19)15-12-10-9-11-13-15/h9-13H,7-8H2,1-6H3
InChIKey JGMXMYCOKBXAHB-UHFFFAOYSA-N
Mol Weight 401.52 g/mol
Molecular Formula C22H27NO4S
Exact Mass 401.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ri6jUCm8Yc
Name 4-(diethylamino)-3-methyl-6-(methylthio)-5-phenyl-benzene-1,2-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO4S
InChI InChI=1S/C22H27NO4S/c1-7-23(8-2)19-14(3)16(21(24)26-4)18(22(25)27-5)20(28-6)17(19)15-12-10-9-11-13-15/h9-13H,7-8H2,1-6H3
InChIKey JGMXMYCOKBXAHB-UHFFFAOYSA-N
Molecular Weight 401.521 g/mol
SMILES c1(c(c(C)c(c(c1SC)-c1ccccc1)N(CC)CC)C(=O)OC)C(=O)OC
SPLASH splash10-0f79-0009200000-11e4884816fa4ad32591
Source of Spectrum QE-2-954-23
Synonyms Dimethyl 4-(diethylamino)-3-methyl-6-methylsulfanyl-5-phenyl-benzene-1,2-dicarboxylate 4-(diethylamino)-3-methyl-6-(methylthio)-5-phenylbenzene-1,2-dicarboxylic acid dimethyl ester
Wiley ID 842596