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3-(3-Mercapto-propylsulfanyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

3-(3-Mercapto-propylsulfanyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 4bGDf7iM9Qa
InChI InChI=1S/C16H20N2O2S2/c1-3-20-16(19)14-12(2)18(13-8-5-4-6-9-13)17-15(14)22-11-7-10-21/h4-6,8-9,21H,3,7,10-11H2,1-2H3
InChIKey SKGKKXPINCXKJF-UHFFFAOYSA-N
Mol Weight 336.47 g/mol
Molecular Formula C16H20N2O2S2
Exact Mass 336.09662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7pilo7eCdf
Name 3-(3-Mercapto-propylsulfanyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O2S2
InChI InChI=1S/C16H20N2O2S2/c1-3-20-16(19)14-12(2)18(13-8-5-4-6-9-13)17-15(14)22-11-7-10-21/h4-6,8-9,21H,3,7,10-11H2,1-2H3
InChIKey SKGKKXPINCXKJF-UHFFFAOYSA-N
Molecular Weight 336.468 g/mol
SMILES SCCCSc1n[n](c(c1C(=O)OCC)C)-c1ccccc1
SPLASH splash10-0aps-0192000000-1e05749ed2e3af442c63
Source of Spectrum F-53-17167-14
Synonyms 4-Carboethoxy-3-(3-Mercapto-propylsulfanyl)-5-methyl-1-phenylpyrazole 4-Carboethoxy-3-(3-mercaptoeth-1-yl)thio-5-methyl-1-phenylpyrazole Ethyl 5-methyl-1-phenyl-3-[(3-sulfanylpropyl)sulfanyl]-1H-pyrazole-4-carboxylate
Wiley ID 804938