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Ethyl 5-(benzylthio)-3-methyl-1-(phenylsulfonyl)-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 3SVLzsRZNQh
InChI InChI=1S/C20H20N2O4S2/c1-3-26-20(23)18-15(2)21-22(28(24,25)17-12-8-5-9-13-17)19(18)27-14-16-10-6-4-7-11-16/h4-13H,3,14H2,1-2H3
InChIKey TYASGBJHHZFQHG-UHFFFAOYSA-N
Mol Weight 416.51 g/mol
Molecular Formula C20H20N2O4S2
Exact Mass 416.086449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CiZXnEwbx91
Name Ethyl 5-(benzylthio)-3-methyl-1-(phenylsulfonyl)-1H-pyrazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O4S2
InChI InChI=1S/C20H20N2O4S2/c1-3-26-20(23)18-15(2)21-22(28(24,25)17-12-8-5-9-13-17)19(18)27-14-16-10-6-4-7-11-16/h4-13H,3,14H2,1-2H3
InChIKey TYASGBJHHZFQHG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20010190213
Molecular Weight 416.510 g/mol
SMILES c1(n[n](S(=O)(c2ccccc2)=O)c(c1C(OCC)=O)SCc1ccccc1)C
SPLASH splash10-000l-6920000000-788a97392ed3cdf0f8a0
Source of Spectrum CJC-19-187-9a
Wiley ID 1774746