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1H-Pyrrole-3,4-dicarboxylic acid, 1-[[(4-methoxyphenyl)methylene]amino]-2-(2-propenylthio)-, dimethyl ester
SpectraBase Compound ID LpccsKZ2qKt
InChI InChI=1S/C19H20N2O5S/c1-5-10-27-17-16(19(23)26-4)15(18(22)25-3)12-21(17)20-11-13-6-8-14(24-2)9-7-13/h5-9,11-12H,1,10H2,2-4H3/b20-11+
InChIKey KWBDRPKEETXDLG-RGVLZGJSSA-N
Mol Weight 388.44 g/mol
Molecular Formula C19H20N2O5S
Exact Mass 388.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DsiFcezjGoX
Name 1H-Pyrrole-3,4-dicarboxylic acid, 1-[[(4-methoxyphenyl)methylene]amino]-2-(2-propenylthio)-, dimethyl ester
CAS Registry Number 132397-51-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N2O5S
InChI InChI=1S/C19H20N2O5S/c1-5-10-27-17-16(19(23)26-4)15(18(22)25-3)12-21(17)20-11-13-6-8-14(24-2)9-7-13/h5-9,11-12H,1,10H2,2-4H3/b20-11+
InChIKey KWBDRPKEETXDLG-RGVLZGJSSA-N
Molecular Weight 388.438 g/mol
SMILES c1(c(c(SCC=C)[n](c1)\N=C\c1ccc(cc1)OC)C(=O)OC)C(=O)OC
SPLASH splash10-00di-0913000000-5608a821919237648d24
Source of Spectrum KC-1990-3088-23
Synonyms Dimethyl 1-((4-methoxybenzylidene)amino)-2-(1-propenylthio)pyrrole-3,4-dicarboxylate Dimethyl 2-(allylsulfanyl)-1-{[(E)-(4-methoxyphenyl)methylidene]amino}-1H-pyrrole-3,4-dicarboxylate
Wiley ID 1363668