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1H-Pyrrole-3,4-dicarboxylic acid, 1-[[(4-methoxyphenyl)methylene]amino]-2-(methylthio)-, dimethyl ester
SpectraBase Compound ID 2xVaoKkKhgF
InChI InChI=1S/C17H18N2O5S/c1-22-12-7-5-11(6-8-12)9-18-19-10-13(16(20)23-2)14(15(19)25-4)17(21)24-3/h5-10H,1-4H3/b18-9+
InChIKey TVZQGGBSMFGVGN-GIJQJNRQSA-N
Mol Weight 362.4 g/mol
Molecular Formula C17H18N2O5S
Exact Mass 362.093643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwJpO7N9ItZ
Name 1H-Pyrrole-3,4-dicarboxylic acid, 1-[[(4-methoxyphenyl)methylene]amino]-2-(methylthio)-, dimethyl ester
CAS Registry Number 132397-50-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O5S
InChI InChI=1S/C17H18N2O5S/c1-22-12-7-5-11(6-8-12)9-18-19-10-13(16(20)23-2)14(15(19)25-4)17(21)24-3/h5-10H,1-4H3/b18-9+
InChIKey TVZQGGBSMFGVGN-GIJQJNRQSA-N
Molecular Weight 362.400 g/mol
SMILES c1(c(c(SC)[n](c1)\N=C\c1ccc(cc1)OC)C(=O)OC)C(=O)OC
SPLASH splash10-03dj-0409000000-5f25960957783ece1c54
Source of Spectrum KC-1990-3088-22
Synonyms Dimethyl 1-((4-methoxyphenyl)methyleneamino)-2-methylthiopyrrole-3,4-dicarboxylate Dimethyl 1-{[(E)-(4-methoxyphenyl)methylidene]amino}-2-(methylsulfanyl)-1H-pyrrole-3,4-dicarboxylate
Wiley ID 1349388