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Ethyl 4-acetyl-5-(([(benzoylsulfanyl)acetyl]oxy)methyl)-3-methyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID IDsM4C9vTNM
InChI InChI=1S/C20H21NO6S/c1-4-26-19(24)18-12(2)17(13(3)22)15(21-18)10-27-16(23)11-28-20(25)14-8-6-5-7-9-14/h5-9,21H,4,10-11H2,1-3H3
InChIKey QEINRAHWVNDIQJ-UHFFFAOYSA-N
Mol Weight 403.45 g/mol
Molecular Formula C20H21NO6S
Exact Mass 403.108959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOK9zEvoTh1
Name Ethyl 4-acetyl-5-(([(benzoylsulfanyl)acetyl]oxy)methyl)-3-methyl-1H-pyrrole-2-carboxylate
Alternate Name(s) 4-Acetyl-5-[[2-(benzoylthio)-1-oxoethoxy]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester 4-Acetyl-5-[[2-(benzoylthio)acetyl]oxymethyl]-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester Ethyl 4-acetyl-5-[(2-benzoylsulfanylacetyl)oxymethyl]-3-methyl-1H-pyrrole-2-carboxylate Ethyl 4-ethanoyl-3-methyl-5-[2-(phenylcarbonylsulfanyl)ethanoyloxymethyl]-1H-pyrrole-2-carboxylate Pyrrole-2-carboxylic acid, 4-acetyl-5-benzoylthioacetoxymethyl-3-methyl-, ethyl ester
CAS Registry Number 339208-64-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO6S
InChI InChI=1S/C20H21NO6S/c1-4-26-19(24)18-12(2)17(13(3)22)15(21-18)10-27-16(23)11-28-20(25)14-8-6-5-7-9-14/h5-9,21H,4,10-11H2,1-3H3
InChIKey QEINRAHWVNDIQJ-UHFFFAOYSA-N
Molecular Weight 403.449 g/mol
SMILES [nH]1c(c(c(c1C(=O)OCC)C)C(=O)C)COC(=O)CSC(=O)c1ccccc1
SPLASH splash10-0a6r-6930000000-b98576d5f3220efb647e
Source of Spectrum AD-0-2532-0
Wiley ID 1432468