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1H-Pyrazole-4,5-dicarboxylic acid, 1-(dimethylamino)-3-(phenylthio)-, dimethyl ester
SpectraBase Compound ID 33eDFCH96I8
InChI InChI=1S/C15H17N3O4S/c1-17(2)18-12(15(20)22-4)11(14(19)21-3)13(16-18)23-10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKey WJAJFFFVYHGJEI-UHFFFAOYSA-N
Mol Weight 335.38 g/mol
Molecular Formula C15H17N3O4S
Exact Mass 335.093977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BiNcN3tDwbw
Name 1H-Pyrazole-4,5-dicarboxylic acid, 1-(dimethylamino)-3-(phenylthio)-, dimethyl ester
Alternate Name(s) Dimethyl 1-(dimethylamino)-3-(phenylsulfanyl)-1H-pyrazole-4,5-dicarboxylate Dimethylester of 1-dimethylamino-3-phenylthio-4,5-pyrazoldicarboxylic acid
CAS Registry Number 78365-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17N3O4S
InChI InChI=1S/C15H17N3O4S/c1-17(2)18-12(15(20)22-4)11(14(19)21-3)13(16-18)23-10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKey WJAJFFFVYHGJEI-UHFFFAOYSA-N
Molecular Weight 335.378 g/mol
SMILES c1([n](nc(c1C(=O)OC)Sc1ccccc1)N(C)C)C(=O)OC
SPLASH splash10-00or-2190000000-2a7009e48f30cabac8dc
Source of Spectrum K-114-1743-0
Wiley ID 1331560