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1H-Pyrrole-3,4-dicarboxylic acid, 2-(methylthio)-1-[(1-phenylethylidene)amino]-, dimethyl ester
SpectraBase Compound ID AkfbhGtjjZI
InChI InChI=1S/C17H18N2O4S/c1-11(12-8-6-5-7-9-12)18-19-10-13(16(20)22-2)14(15(19)24-4)17(21)23-3/h5-10H,1-4H3/b18-11-
InChIKey VFCDISFTWZZTOE-WQRHYEAKSA-N
Mol Weight 346.4 g/mol
Molecular Formula C17H18N2O4S
Exact Mass 346.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSXtYj1QCgi
Name 1H-Pyrrole-3,4-dicarboxylic acid, 2-(methylthio)-1-[(1-phenylethylidene)amino]-, dimethyl ester
CAS Registry Number 132397-54-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O4S
InChI InChI=1S/C17H18N2O4S/c1-11(12-8-6-5-7-9-12)18-19-10-13(16(20)22-2)14(15(19)24-4)17(21)23-3/h5-10H,1-4H3/b18-11-
InChIKey VFCDISFTWZZTOE-WQRHYEAKSA-N
Molecular Weight 346.401 g/mol
SMILES c1(c(c(SC)[n](c1)\N=C/(c1ccccc1)C)C(=O)OC)C(=O)OC
SPLASH splash10-016r-5903000000-5c7d3101daa9acb72d82
Source of Spectrum KC-1990-3088-26
Synonyms Dimethyl 1-((1'-phenylethylene)amino)-2-methylthiopyrrole-3,4-dicarboxylate Dimethyl 2-(methylsulfanyl)-1-{[(Z)-1-phenylethylidene]amino}-1H-pyrrole-3,4-dicarboxylate
Wiley ID 1339081