For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Ethyl 5-(benzylthio)-1-(4-chlorophenylsulfonyl)-3-methyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 3qe16Tcmpul
InChI InChI=1S/C20H19ClN2O4S2/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 LFZNLIWKNGGSGK-UHFFFAOYSA-N
Mol Weight 450.96 g/mol
Molecular Formula C20H19ClN2O4S2
Exact Mass 450.047477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2qmpeaoObVW
Name Ethyl 5-(benzylthio)-1-(4-chlorophenylsulfonyl)-3-methyl-1H-pyrazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClN2O4S2
InChI InChI=1S/C20H19ClN2O4S2/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 LFZNLIWKNGGSGK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20010190213
Molecular Weight 450.955 g/mol
SMILES c1(n[n](S(=O)(c2ccc(cc2)Cl)=O)c(c1C(OCC)=O)SCc1ccccc1)C
SPLASH splash10-002r-0970000000-4c3599484c0ca131e605
Source of Spectrum CJC-19-188-9d
Synonyms Ethyl 5-(benzylthio)-1-((4-chlorophenyl)sulfonyl)-3-methyl-1H-pyrazole-4-carboxylate
Wiley ID 1774749