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1H-Pyrrole-3,4-dicarboxylic acid, 1-(ethylideneamino)-2-(methylthio)-, dimethyl ester
SpectraBase Compound ID 6IC0yYm0cDC
InChI InChI=1S/C11H14N2O4S/c1-5-12-13-6-7(10(14)16-2)8(9(13)18-4)11(15)17-3/h5-6H,1-4H3/b12-5+
InChIKey LUEXNAMELNTMKV-LFYBBSHMSA-N
Mol Weight 270.3 g/mol
Molecular Formula C11H14N2O4S
Exact Mass 270.067428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWa16RvpeGB
Name 1H-Pyrrole-3,4-dicarboxylic acid, 1-(ethylideneamino)-2-(methylthio)-, dimethyl ester
Alternate Name(s) Dimethyl 1-ethyleneamino-2-methylthiopyrrolyl-3,4-dicarboxylate Dimethyl 1-[(E)-ethylideneamino]-2-(methylsulfanyl)-1H-pyrrole-3,4-dicarboxylate
CAS Registry Number 132397-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N2O4S
InChI InChI=1S/C11H14N2O4S/c1-5-12-13-6-7(10(14)16-2)8(9(13)18-4)11(15)17-3/h5-6H,1-4H3/b12-5+
InChIKey LUEXNAMELNTMKV-LFYBBSHMSA-N
Molecular Weight 270.303 g/mol
SMILES c1(c(c(SC)[n](c1)\N=C\C)C(=O)OC)C(=O)OC
SPLASH splash10-00di-0190000000-40929c9f0deee3df3d01
Source of Spectrum KC-1990-3087-19
Wiley ID 1273681