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3-(4-chlorophenyl)-5-((3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene-2-thioxothiazolidin-4-one)
SpectraBase Compound ID IXROttGVvMG
InChI InChI=1S/C26H18ClN3O2S2/c1-32-22-13-7-17(8-14-22)24-18(16-29(28-24)20-5-3-2-4-6-20)15-23-25(31)30(26(33)34-23)21-11-9-19(27)10-12-21/h2-16H,1H3
InChIKey IBAARBDYHKDYMV-UHFFFAOYSA-N
Mol Weight 504.02 g/mol
Molecular Formula C26H18ClN3O2S2
Exact Mass 503.052897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2HBJYeHUps
Name 3-(4-chlorophenyl)-5-((3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene-2-thioxothiazolidin-4-one)
Appearance Yellow crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H18ClN3O2S2
InChI InChI=1S/C26H18ClN3O2S2/c1-32-22-13-7-17(8-14-22)24-18(16-29(28-24)20-5-3-2-4-6-20)15-23-25(31)30(26(33)34-23)21-11-9-19(27)10-12-21/h2-16H,1H3
InChIKey IBAARBDYHKDYMV-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2013.05.029
Molecular Weight 504.022 g/mol
SMILES C(c1c(n[n](c1)-c1ccccc1)-c1ccc(cc1)OC)=C1C(N(C(S1)=S)c1ccc(cc1)Cl)=O
SPLASH splash10-0bt9-0698030000-f57c7af43e2b39514104
Source of Spectrum AJC-10-SM19-3h
Wiley ID 1857161