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N'3,N'5-Bis(5-acetyl-3-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbohydrazide
SpectraBase Compound ID BpoL3tEtmRM
InChI InChI=1S/C35H29Br2N9O4S2/c1-18-27(30(49)39-41-34-45(43-32(51-34)20(3)47)25-14-10-23(36)11-15-25)29(22-8-6-5-7-9-22)28(19(2)38-18)31(50)40-42-35-46(44-33(52-35)21(4)48)26-16-12-24(37)13-17-26/h5-17,29,38H,1-4H3,(H,39,49)(H,40,50)
InChIKey PUAWMBOKSBBPQT-UHFFFAOYSA-N
Mol Weight 863.6 g/mol
Molecular Formula C35H29Br2N9O4S2
Exact Mass 861.015069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2x8g2BuYTF
Name N'3,N'5-Bis(5-acetyl-3-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbohydrazide
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Formula C35H29Br2N9O4S2
InChI InChI=1S/C35H29Br2N9O4S2/c1-18-27(30(49)39-41-34-45(43-32(51-34)20(3)47)25-14-10-23(36)11-15-25)29(22-8-6-5-7-9-22)28(19(2)38-18)31(50)40-42-35-46(44-33(52-35)21(4)48)26-16-12-24(37)13-17-26/h5-17,29,38H,1-4H3,(H,39,49)(H,40,50)
InChIKey PUAWMBOKSBBPQT-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3300
Molecular Weight 863.604 g/mol
SMILES N1C(=C(C(C(C(=O)NN=C2N(N=C(S2)C(=O)C)c2ccc(cc2)Br)=C1C)c1ccccc1)C(NN=C1SC(=NN1c1ccc(cc1)Br)C(C)=O)=O)C
SPLASH splash10-03yl-9145373240-535c39b55eccbe94e8df
Source of Spectrum Y-55-2364-6f
Wiley ID 1878874