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Ethyl 5-(benzylthio)-1-(4-fluorophenylsulfonyl)-3-methyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID CPpnJs9J4V8
InChI InChI=1S/C20H19FN2O4S2/c1-3-27-20(24)18-14(2)22-23(19(18)28-13-15-7-5-4-6-8-15)29(25,26)17-11-9-16(21)10-12-17/h4-12H,3,13H2,1-2H3
InChIKey IQILXGABCYIQSX-UHFFFAOYSA-N
Mol Weight 434.5 g/mol
Molecular Formula C20H19FN2O4S2
Exact Mass 434.077028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9f3iEXr1Lkh
Name Ethyl 5-(benzylthio)-1-(4-fluorophenylsulfonyl)-3-methyl-1H-pyrazole-4-carboxylate
Alternate Name(s) Ethyl 5-(benzylthio)-1-((4-fluorophenyl)sulfonyl)-3-methyl-1H-pyrazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19FN2O4S2
InChI InChI=1S/C20H19FN2O4S2/c1-3-27-20(24)18-14(2)22-23(19(18)28-13-15-7-5-4-6-8-15)29(25,26)17-11-9-16(21)10-12-17/h4-12H,3,13H2,1-2H3
InChIKey IQILXGABCYIQSX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20010190213
Molecular Weight 434.500 g/mol
SMILES c1([n](nc(c1C(OCC)=O)C)S(c1ccc(cc1)F)(=O)=O)SCc1ccccc1
SPLASH splash10-000l-7920000000-67873b59c1ebd04d80c1
Source of Spectrum CJC-19-188-9c
Wiley ID 1774748