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4-Carboethoxy-5-ethyl-3-(3-mercaptoeth-1-yl)thio-5-methyl-1-phenylpyrazole
SpectraBase Compound ID GVgm37sFWyZ
InChI InChI=1S/C17H22N2O2S2/c1-3-14-15(17(20)21-4-2)16(23-12-8-11-22)18-19(14)13-9-6-5-7-10-13/h5-7,9-10,22H,3-4,8,11-12H2,1-2H3
InChIKey ZZUOJALKKCQPCO-UHFFFAOYSA-N
Mol Weight 350.5 g/mol
Molecular Formula C17H22N2O2S2
Exact Mass 350.11227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvmX622YN13
Name 4-Carboethoxy-5-ethyl-3-(3-mercaptoeth-1-yl)thio-5-methyl-1-phenylpyrazole
Alternate Name(s) 4-Ethoxy-carbonyl-5-ethyl-3-(3-mercapto-propyl-1-yl)thiol-1-phenylpyrazole 5-Ethyl-3-(3-mercapto-propylsulfanyl)-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester Ethyl 5-ethyl-1-phenyl-3-[(3-sulfanylpropyl)sulfanyl]-1H-pyrazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O2S2
InChI InChI=1S/C17H22N2O2S2/c1-3-14-15(17(20)21-4-2)16(23-12-8-11-22)18-19(14)13-9-6-5-7-10-13/h5-7,9-10,22H,3-4,8,11-12H2,1-2H3
InChIKey ZZUOJALKKCQPCO-UHFFFAOYSA-N
Molecular Weight 350.495 g/mol
SMILES SCCCSc1n[n](c(c1C(=O)OCC)CC)-c1ccccc1
SPLASH splash10-0gb9-0039000000-3a812614ef1be4eae7a6
Source of Spectrum F-53-17167-15
Wiley ID 804937