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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-nitrophenyl)-N-phenyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxamide)
SpectraBase Compound ID ALJE9mSwxWd
InChI InChI=1S/C45H35N13O8S2/c1-26-35(38(59)49-51-44-55(31-18-22-33(23-19-31)57(63)64)53-42(67-44)40(61)47-29-14-8-4-9-15-29)37(28-12-6-3-7-13-28)36(27(2)46-26)39(60)50-52-45-56(32-20-24-34(25-21-32)58(65)66)54-43(68-45)41(62)48-30-16-10-5-11-17-30/h3-25,37,46H,1-2H3,(H,47,61)(H,48,62)(H,49,59)(H,50,60)
InChIKey YXIAPVQWLGIFLN-UHFFFAOYSA-N
Mol Weight 950.0 g/mol
Molecular Formula C45H35N13O8S2
Exact Mass 949.217297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IK1LTbaviVk
Name 5,5'-((2,6-Dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonyl)bis(hydrazin-2-yl-1-ylidene))bis(4-(4-nitrophenyl)-N-phenyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxamide)
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Formula C45H35N13O8S2
InChI InChI=1S/C45H35N13O8S2/c1-26-35(38(59)49-51-44-55(31-18-22-33(23-19-31)57(63)64)53-42(67-44)40(61)47-29-14-8-4-9-15-29)37(28-12-6-3-7-13-28)36(27(2)46-26)39(60)50-52-45-56(32-20-24-34(25-21-32)58(65)66)54-43(68-45)41(62)48-30-16-10-5-11-17-30/h3-25,37,46H,1-2H3,(H,47,61)(H,48,62)(H,49,59)(H,50,60)
InChIKey YXIAPVQWLGIFLN-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3300
Molecular Weight 949.978 g/mol
SMILES N1C(=C(C(C(C(=O)NN=C2N(N=C(C(=O)Nc3ccccc3)S2)c2ccc(cc2)[N+]([O-])=O)=C1C)c1ccccc1)C(NN=C1SC(C(Nc2ccccc2)=O)=NN1c1ccc(cc1)[N+]([O-])=O)=O)C
SPLASH splash10-006t-4009100000-82d2b13c2ecec00deaf1
Source of Spectrum Y-55-2365-6o
Wiley ID 1878882