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3-(4-chlorophenyl)-5-((1-phenyl-3-tolyl-1H-pyrazol-4-yl)methylene-2-thioxothiazolidin-4-one)
SpectraBase Compound ID GEokup1Qx9Q
InChI InChI=1S/C26H18ClN3OS2/c1-17-7-9-18(10-8-17)24-19(16-29(28-24)21-5-3-2-4-6-21)15-23-25(31)30(26(32)33-23)22-13-11-20(27)12-14-22/h2-16H,1H3
InChIKey SHXFKXANGUJOAL-UHFFFAOYSA-N
Mol Weight 488.02 g/mol
Molecular Formula C26H18ClN3OS2
Exact Mass 487.057982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZbqqafhAir
Name 3-(4-chlorophenyl)-5-((1-phenyl-3-tolyl-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 C26H18ClN3OS2
InChI InChI=1S/C26H18ClN3OS2/c1-17-7-9-18(10-8-17)24-19(16-29(28-24)21-5-3-2-4-6-21)15-23-25(31)30(26(32)33-23)22-13-11-20(27)12-14-22/h2-16H,1H3
InChIKey SHXFKXANGUJOAL-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2013.05.029
Molecular Weight 488.023 g/mol
SMILES C(c1c(n[n](c1)-c1ccccc1)-c1ccc(cc1)C)=C1C(N(C(S1)=S)c1ccc(cc1)Cl)=O
SPLASH splash10-000f-0390200000-b9b56f0e65e050c9ea8f
Source of Spectrum AJC-10-SM13-3b
Wiley ID 1857155