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1,1'-(5,5'-([1,1'-Biphenyl]-4,4'-diyl)bis(5-((1-(naphthalen-2-yl) ethylidene)hydrazono)-4,5-dihydro-1,3,4-thiadiazole-4,2-diyl)) bis(ethan-1-one)

View entire compound with spectra: 1 MS (GC)

1,1'-(5,5'-([1,1'-Biphenyl]-4,4'-diyl)bis(5-((1-(naphthalen-2-yl) ethylidene)hydrazono)-4,5-dihydro-1,3,4-thiadiazole-4,2-diyl)) bis(ethan-1-one)
SpectraBase Compound ID EXtBAEnTLtN
InChI InChI=1S/C44H34N8O2S2/c1-27(35-15-13-31-9-5-7-11-37(31)25-35)45-47-43-51(49-41(55-43)29(3)53)39-21-17-33(18-22-39)34-19-23-40(24-20-34)52-44(56-42(50-52)30(4)54)48-46-28(2)36-16-14-32-10-6-8-12-38(32)26-36/h5-26H,1-4H3
InChIKey PXOWXFUQUUZRQE-UHFFFAOYSA-N
Mol Weight 770.9 g/mol
Molecular Formula C44H34N8O2S2
Exact Mass 770.224615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID UigT09hqa
Name 1,1'-(5,5'-([1,1'-Biphenyl]-4,4'-diyl)bis(5-((1-(naphthalen-2-yl) ethylidene)hydrazono)-4,5-dihydro-1,3,4-thiadiazole-4,2-diyl)) bis(ethan-1-one)
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H34N8O2S2
InChI InChI=1S/C44H34N8O2S2/c1-27(35-15-13-31-9-5-7-11-37(31)25-35)45-47-43-51(49-41(55-43)29(3)53)39-21-17-33(18-22-39)34-19-23-40(24-20-34)52-44(56-42(50-52)30(4)54)48-46-28(2)36-16-14-32-10-6-8-12-38(32)26-36/h5-26H,1-4H3
InChIKey PXOWXFUQUUZRQE-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3108
Molecular Weight 770.930 g/mol
SMILES c1c(ccc(c1)N1N=C(SC1=NN=C(C)c1ccc2c(c1)cccc2)C(=O)C)-c1ccc(cc1)N1N=C(SC1=NN=C(c1cc2c(cc1)cccc2)C)C(=O)C
SPLASH splash10-05fr-0933311000-fbe6a3fac737e626f2e3
Source of Spectrum Y-55-849-7a
Wiley ID 1879102