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Methyl 4-methylthio-2-phenyl-6-(1-pyrrolidinyl)benzoate
SpectraBase Compound ID 92lbuQA0cXK
InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-16(14-8-4-3-5-9-14)12-15(23-2)13-17(18)20-10-6-7-11-20/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3
InChIKey ALFJPKWVESVJGB-UHFFFAOYSA-N
Mol Weight 327.44 g/mol
Molecular Formula C19H21NO2S
Exact Mass 327.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHXyyChd7b3
Name Methyl 4-methylthio-2-phenyl-6-(1-pyrrolidinyl)benzoate
Alternate Name(s) Methyl 5-(methylsulfanyl)-3-(1-pyrrolidinyl)[1,1'-biphenyl]-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO2S
InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-16(14-8-4-3-5-9-14)12-15(23-2)13-17(18)20-10-6-7-11-20/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3
InChIKey ALFJPKWVESVJGB-UHFFFAOYSA-N
Molecular Weight 327.442 g/mol
SMILES C(c1c(cc(cc1N1CCCC1)SC)-c1ccccc1)(=O)OC
SPLASH splash10-0012-0090000000-b202d80177a6f7e2feba
Source of Spectrum SO-0-930-5
Wiley ID 1545860