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Methyl 1-methyl-2-(4'-nitrophenylthio)-3-pyrrolecarboxylate
SpectraBase Compound ID 7QzK1RaK66J
InChI InChI=1S/C13H12N2O4S/c1-14-8-7-11(13(16)19-2)12(14)20-10-5-3-9(4-6-10)15(17)18/h3-8H,1-2H3
InChIKey NPTCOUVIRFVFAS-UHFFFAOYSA-N
Mol Weight 292.31 g/mol
Molecular Formula C13H12N2O4S
Exact Mass 292.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vslqqgrkjI
Name Methyl 1-methyl-2-(4'-nitrophenylthio)-3-pyrrolecarboxylate
Alternate Name(s) Methyl 1-methyl-2-[(4-nitrophenyl)sulfanyl]-1H-pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O4S
InChI InChI=1S/C13H12N2O4S/c1-14-8-7-11(13(16)19-2)12(14)20-10-5-3-9(4-6-10)15(17)18/h3-8H,1-2H3
InChIKey NPTCOUVIRFVFAS-UHFFFAOYSA-N
Molecular Weight 292.309 g/mol
SMILES c1(c([n](C)cc1)Sc1ccc(N(=O)=O)cc1)C(=O)OC
SPLASH splash10-0019-0690000000-0ab45a42fde5307badfe
Source of Spectrum F-50-106-3
Wiley ID 1295045