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1H-Pyrrole-3,4-dicarboxylic acid, 2-(methylthio)-, dimethyl ester
SpectraBase Compound ID J2wew6IjsFg
InChI InChI=1S/C9H11NO4S/c1-13-8(11)5-4-10-7(15-3)6(5)9(12)14-2/h4,10H,1-3H3
InChIKey HPTRFSNXJKZYPK-UHFFFAOYSA-N
Mol Weight 229.25 g/mol
Molecular Formula C9H11NO4S
Exact Mass 229.040879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ftr6rPi7pCH
Name 1H-Pyrrole-3,4-dicarboxylic acid, 2-(methylthio)-, dimethyl ester
Alternate Name(s) 2-Methylthio-1H-pyrrole-3,4-dicarboxylate Dimethyl 2-(methylsulfanyl)-1H-pyrrole-3,4-dicarboxylate
CAS Registry Number 106762-10-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO4S
InChI InChI=1S/C9H11NO4S/c1-13-8(11)5-4-10-7(15-3)6(5)9(12)14-2/h4,10H,1-3H3
InChIKey HPTRFSNXJKZYPK-UHFFFAOYSA-N
Molecular Weight 229.250 g/mol
SMILES [nH]1cc(c(c1SC)C(=O)OC)C(=O)OC
SPLASH splash10-00kb-0920000000-e48dbda033b5f581800e
Source of Spectrum KC-1990-3089-32
Wiley ID 1230499