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1,3,5-Tris((2-((2-(4-(4-chlorophenyl)thiazol-2-yl)hydrazono)methyl)phenoxy)methyl)benzene
SpectraBase Compound ID 7LKTzycKhht
InChI InChI=1S/C57H42Cl3N9O3S3/c58-46-19-13-40(14-20-46)49-34-73-55(64-49)67-61-28-43-7-1-4-10-52(43)70-31-37-25-38(32-71-53-11-5-2-8-44(53)29-62-68-56-65-50(35-74-56)41-15-21-47(59)22-16-41)27-39(26-37)33-72-54-12-6-3-9-45(54)30-63-69-57-66-51(36-75-57)42-17-23-48(60)24-18-42/h1-30,34-36H,31-33H2,(H,64,67)(H,65,68)(H,66,69)
InChIKey DYHRZYKFXYTPMT-UHFFFAOYSA-N
Mol Weight 1103.6 g/mol
Molecular Formula C57H42Cl3N9O3S3
Exact Mass 1101.163833 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4DynicRNgm
Name 1,3,5-Tris((2-((2-(4-(4-chlorophenyl)thiazol-2-yl)hydrazono)methyl)phenoxy)methyl)benzene
Appearance Yellow powder
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Formula C57H42Cl3N9O3S3
InChI InChI=1S/C57H42Cl3N9O3S3/c58-46-19-13-40(14-20-46)49-34-73-55(64-49)67-61-28-43-7-1-4-10-52(43)70-31-37-25-38(32-71-53-11-5-2-8-44(53)29-62-68-56-65-50(35-74-56)41-15-21-47(59)22-16-41)27-39(26-37)33-72-54-12-6-3-9-45(54)30-63-69-57-66-51(36-75-57)42-17-23-48(60)24-18-42/h1-30,34-36H,31-33H2,(H,64,67)(H,65,68)(H,66,69)
InChIKey DYHRZYKFXYTPMT-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2629
Molecular Weight 1103.562 g/mol
SMILES N(N=Cc1ccccc1OCc1cc(cc(COc2c(C=NNc3scc(n3)-c3ccc(cc3)Cl)cccc2)c1)COc1c(C=NNc2nc(-c3ccc(Cl)cc3)cs2)cccc1)c1scc(n1)-c1ccc(cc1)Cl
SPLASH splash10-114r-6055009000-6b1af84057df47fd6378
Source of Spectrum Y-54-592-11b
Wiley ID 1877890