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1H-Pyrazole-3,4-dicarboxylic acid, 1-methyl-5-(methylthio)-, dimethyl ester
SpectraBase Compound ID 3UwIJqoEUCX
InChI InChI=1S/C9H12N2O4S/c1-11-7(16-4)5(8(12)14-2)6(10-11)9(13)15-3/h1-4H3
InChIKey VNJDWNUAQGBUPK-UHFFFAOYSA-N
Mol Weight 244.26 g/mol
Molecular Formula C9H12N2O4S
Exact Mass 244.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TqzUSTw5X4
Name 1H-Pyrazole-3,4-dicarboxylic acid, 1-methyl-5-(methylthio)-, dimethyl ester
Alternate Name(s) Dimethyl 1-methyl-5-(methylsulfanyl)-1H-pyrazole-3,4-dicarboxylate Dimethylester of 1-methyl-5-(methylthio)-3,4-pyrazoldicarboxylic acid
CAS Registry Number 79489-92-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O4S
InChI InChI=1S/C9H12N2O4S/c1-11-7(16-4)5(8(12)14-2)6(10-11)9(13)15-3/h1-4H3
InChIKey VNJDWNUAQGBUPK-UHFFFAOYSA-N
Molecular Weight 244.265 g/mol
SMILES c1(c(c(SC)[n](n1)C)C(=O)OC)C(=O)OC
SPLASH splash10-01ox-0190000000-6c3ea6ca1c1421cbab3b
Source of Spectrum K-114-2463-0
Wiley ID 1246485