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N'3,N'5-Bis(5-acetyl-3-(4-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbohydrazide
SpectraBase Compound ID Kb4PjxnvM1V
InChI InChI=1S/C37H35N9O6S2/c1-20-29(32(49)39-41-36-45(43-34(53-36)22(3)47)25-12-16-27(51-5)17-13-25)31(24-10-8-7-9-11-24)30(21(2)38-20)33(50)40-42-37-46(44-35(54-37)23(4)48)26-14-18-28(52-6)19-15-26/h7-19,31,38H,1-6H3,(H,39,49)(H,40,50)
InChIKey BLRLRYJNQJIFES-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 1IqegfUpoVm
Name N'3,N'5-Bis(5-acetyl-3-(4-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbohydrazide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H35N9O6S2
InChI InChI=1S/C37H35N9O6S2/c1-20-29(32(49)39-41-36-45(43-34(53-36)22(3)47)25-12-16-27(51-5)17-13-25)31(24-10-8-7-9-11-24)30(21(2)38-20)33(50)40-42-37-46(44-35(54-37)23(4)48)26-14-18-28(52-6)19-15-26/h7-19,31,38H,1-6H3,(H,39,49)(H,40,50)
InChIKey BLRLRYJNQJIFES-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)C)c2ccc(cc2)OC)=C1C)c1ccccc1)C(NN=C1SC(=NN1c1ccc(cc1)OC)C(C)=O)=O)C
SPLASH splash10-006t-5069600000-c71567b3aeadc9522a20
Source of Spectrum Y-55-2364-6d
Wiley ID 1878872