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1H-Pyrazole-3,4-dicarboxylic acid, 5-(methylthio)-1-(1-piperidinyl)-, dimethyl ester
SpectraBase Compound ID BY6cA6Q3wxe
InChI InChI=1S/C13H19N3O4S/c1-19-12(17)9-10(13(18)20-2)14-16(11(9)21-3)15-7-5-4-6-8-15/h4-8H2,1-3H3
InChIKey WSYNLZOQXZCGFB-UHFFFAOYSA-N
Mol Weight 313.37 g/mol
Molecular Formula C13H19N3O4S
Exact Mass 313.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sVjrWVefKa
Name 1H-Pyrazole-3,4-dicarboxylic acid, 5-(methylthio)-1-(1-piperidinyl)-, dimethyl ester
Alternate Name(s) Dimethyl 5-(methylsulfanyl)-1-(1-piperidinyl)-1H-pyrazole-3,4-dicarboxylate Dimethylester of 5-(methylthio)-1-piperidino-3,4-pyrazoldicarboxylic acid
CAS Registry Number 79489-85-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19N3O4S
InChI InChI=1S/C13H19N3O4S/c1-19-12(17)9-10(13(18)20-2)14-16(11(9)21-3)15-7-5-4-6-8-15/h4-8H2,1-3H3
InChIKey WSYNLZOQXZCGFB-UHFFFAOYSA-N
Molecular Weight 313.372 g/mol
SMILES c1([n](nc(c1C(=O)OC)C(=O)OC)N1CCCCC1)SC
SPLASH splash10-01q9-9516000000-25b5ced7dda290cf32ef
Source of Spectrum K-114-2462-0
Wiley ID 1314062