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5,5'-((2,6-Dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonyl)bis(hydrazin-2-yl-1-ylidene))bis(4-(4-chlorophenyl)-N-phenyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxamide)
SpectraBase Compound ID D6FtNnA7bvC
InChI InChI=1S/C45H35Cl2N11O4S2/c1-26-35(38(59)51-53-44-57(33-22-18-29(46)19-23-33)55-42(63-44)40(61)49-31-14-8-4-9-15-31)37(28-12-6-3-7-13-28)36(27(2)48-26)39(60)52-54-45-58(34-24-20-30(47)21-25-34)56-43(64-45)41(62)50-32-16-10-5-11-17-32/h3-25,37,48H,1-2H3,(H,49,61)(H,50,62)(H,51,59)(H,52,60)
InChIKey MKDXTAJRZHFYOB-UHFFFAOYSA-N
Mol Weight 928.9 g/mol
Molecular Formula C45H35Cl2N11O4S2
Exact Mass 927.169196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wrzDrCZcT8
Name 5,5'-((2,6-Dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonyl)bis(hydrazin-2-yl-1-ylidene))bis(4-(4-chlorophenyl)-N-phenyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxamide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H35Cl2N11O4S2
InChI InChI=1S/C45H35Cl2N11O4S2/c1-26-35(38(59)51-53-44-57(33-22-18-29(46)19-23-33)55-42(63-44)40(61)49-31-14-8-4-9-15-31)37(28-12-6-3-7-13-28)36(27(2)48-26)39(60)52-54-45-58(34-24-20-30(47)21-25-34)56-43(64-45)41(62)50-32-16-10-5-11-17-32/h3-25,37,48H,1-2H3,(H,49,61)(H,50,62)(H,51,59)(H,52,60)
InChIKey MKDXTAJRZHFYOB-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3300
Molecular Weight 928.874 g/mol
SMILES N1C(=C(C(C(C(=O)NN=C2N(N=C(C(=O)Nc3ccccc3)S2)c2ccc(cc2)Cl)=C1C)c1ccccc1)C(NN=C1SC(C(Nc2ccccc2)=O)=NN1c1ccc(cc1)Cl)=O)C
SPLASH splash10-066r-0009500011-61e3ec3b805c267c1562
Source of Spectrum Y-55-2365-6n
Wiley ID 1878881