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1H-Pyrazole-3,4-dicarboxylic acid, 1-(dimethylamino)-5-(phenylthio)-, dimethyl ester

View entire compound with spectra: 1 MS (GC)

1H-Pyrazole-3,4-dicarboxylic acid, 1-(dimethylamino)-5-(phenylthio)-, dimethyl ester
SpectraBase Compound ID EvP2SZMAOGn
InChI InChI=1S/C15H17N3O4S/c1-17(2)18-13(23-10-8-6-5-7-9-10)11(14(19)21-3)12(16-18)15(20)22-4/h5-9H,1-4H3
InChIKey DCUVWEAGBFRZRY-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 9IfHioeIZeW
Name 1H-Pyrazole-3,4-dicarboxylic acid, 1-(dimethylamino)-5-(phenylthio)-, dimethyl ester
CAS Registry Number 79489-82-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17N3O4S
InChI InChI=1S/C15H17N3O4S/c1-17(2)18-13(23-10-8-6-5-7-9-10)11(14(19)21-3)12(16-18)15(20)22-4/h5-9H,1-4H3
InChIKey DCUVWEAGBFRZRY-UHFFFAOYSA-N
Molecular Weight 335.378 g/mol
SMILES c1(c(c(Sc2ccccc2)[n](n1)N(C)C)C(=O)OC)C(=O)OC
SPLASH splash10-000i-2129000000-64a45baf09e30dd5c5c2
Source of Spectrum K-114-2460-0
Synonyms Dimethyl 1-(dimethylamino)-5-(phenylsulfanyl)-1H-pyrazole-3,4-dicarboxylate Dimethylester of 1-(dimethylamino)-5-(phenylthio)-3,4-pyrazoldicarboxylic acid
Wiley ID 1331561