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Diethyl 5,5'-((2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonyl)bis(hydrazin-2-yl-1-ylidene))(bis(4-phenyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate)
SpectraBase Compound ID 7UHVt5f6beF
InChI InChI=1S/C37H35N9O6S2/c1-5-51-34(49)32-43-45(25-18-12-8-13-19-25)36(53-32)41-39-30(47)27-22(3)38-23(4)28(29(27)24-16-10-7-11-17-24)31(48)40-42-37-46(26-20-14-9-15-21-26)44-33(54-37)35(50)52-6-2/h7-21,29,38H,5-6H2,1-4H3,(H,39,47)(H,40,48)
InChIKey HAGQCYQQCQFBKJ-UHFFFAOYSA-N
Mol Weight 765.9 g/mol
Molecular Formula C37H35N9O6S2
Exact Mass 765.215172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Bmnjs77L6
Name Diethyl 5,5'-((2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonyl)bis(hydrazin-2-yl-1-ylidene))(bis(4-phenyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate)
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Formula C37H35N9O6S2
InChI InChI=1S/C37H35N9O6S2/c1-5-51-34(49)32-43-45(25-18-12-8-13-19-25)36(53-32)41-39-30(47)27-22(3)38-23(4)28(29(27)24-16-10-7-11-17-24)31(48)40-42-37-46(26-20-14-9-15-21-26)44-33(54-37)35(50)52-6-2/h7-21,29,38H,5-6H2,1-4H3,(H,39,47)(H,40,48)
InChIKey HAGQCYQQCQFBKJ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3300
Molecular Weight 765.864 g/mol
SMILES N1C(=C(C(C(C(=O)NN=C2N(N=C(S2)C(=O)OCC)c2ccccc2)=C1C)c1ccccc1)C(NN=C1SC(=NN1c1ccccc1)C(OCC)=O)=O)C
SPLASH splash10-06w9-1025963200-c486d0a4e5a92448c11a
Source of Spectrum Y-55-2364-6h
Wiley ID 1878876