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Dimethyl 5-(tert-butylthiocarbomyl)-1-[(ethoxycarbonyl)methyl]-2-(methylthio)-1H-pyrrole-3,4-dicarboxylate
SpectraBase Compound ID 2hKBiIkb8o9
InChI InChI=1S/C18H26N2O6S2/c1-8-26-10(21)9-20-13(14(27)19-18(2,3)4)11(16(22)24-5)12(15(20)28-7)17(23)25-6/h8-9H2,1-7H3,(H,19,27)
InChIKey ZNZHJMURMSZANB-UHFFFAOYSA-N
Mol Weight 430.53 g/mol
Molecular Formula C18H26N2O6S2
Exact Mass 430.123229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BuUXi9NK2cT
Name Dimethyl 5-(tert-butylthiocarbomyl)-1-[(ethoxycarbonyl)methyl]-2-(methylthio)-1H-pyrrole-3,4-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26N2O6S2
InChI InChI=1S/C18H26N2O6S2/c1-8-26-10(21)9-20-13(14(27)19-18(2,3)4)11(16(22)24-5)12(15(20)28-7)17(23)25-6/h8-9H2,1-7H3,(H,19,27)
InChIKey ZNZHJMURMSZANB-UHFFFAOYSA-N
Molecular Weight 430.534 g/mol
SMILES N(C(c1c(c(c([n]1CC(=O)OCC)SC)C(=O)OC)C(=O)OC)=S)C(C)(C)C
SPLASH splash10-0a59-0009700000-37ec325f1b1b23ebc02f
Source of Spectrum F-51-7029-8
Synonyms Dimethyl 2-[(tert-butylamino)carbothioyl]-1-(2-ethoxy-2-oxoethyl)-5-(methylsulfanyl)-1H-pyrrole-3,4-dicarboxylate
Wiley ID 792403