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2-({[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}amino)-5-(2,4-dichlorophenyl)thiophene-3-carbonitrile
SpectraBase Compound ID DH7ZrpqKCSb
InChI InChI=1S/C27H15Cl3N4S/c28-20-8-6-17(7-9-20)26-19(16-34(33-26)22-4-2-1-3-5-22)15-32-27-18(14-31)12-25(35-27)23-11-10-21(29)13-24(23)30/h1-13,15-16H
InChIKey QQILQSGWOWBQIN-UHFFFAOYSA-N
Mol Weight 533.86 g/mol
Molecular Formula C27H15Cl3N4S
Exact Mass 532.008301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dbygk7Wwmc6
Name 2-({[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}amino)-5-(2,4-dichlorophenyl)thiophene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H15Cl3N4S
InChI InChI=1S/C27H15Cl3N4S/c28-20-8-6-17(7-9-20)26-19(16-34(33-26)22-4-2-1-3-5-22)15-32-27-18(14-31)12-25(35-27)23-11-10-21(29)13-24(23)30/h1-13,15-16H
InChIKey QQILQSGWOWBQIN-UHFFFAOYSA-N
Instrument Name Waters Synapt G2
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202000103
Molecular Weight 533.864 g/mol
SMILES c1cc(c(cc1Cl)Cl)-c1sc(N=Cc2c[n](-c3ccccc3)nc2-c2ccc(cc2)Cl)c(c1)C#N
SPLASH splash10-0059-0910000000-cf1586c8a6263fe1f4ee
Source of Spectrum APC-353-SM3-8b
Wiley ID 1855801