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1,1'-(5,5'-([1,1'-Biphenyl]-4,4'-diyl)bis(5-((3,4-dihydronaphthalen-1(2H)-ylidene)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-((3,4-dihydronaphthalen-1(2H)-ylidene)hydrazono)-4,5-dihydro-1,3,4-thiadiazole-4,2-diyl)) bis(ethan-1-one)
SpectraBase Compound ID 2xHMQ5PiuuV
InChI InChI=1S/C40H34N8O2S2/c1-25(49)37-45-47(39(51-37)43-41-35-15-7-11-29-9-3-5-13-33(29)35)31-21-17-27(18-22-31)28-19-23-32(24-20-28)48-40(52-38(46-48)26(2)50)44-42-36-16-8-12-30-10-4-6-14-34(30)36/h3-6,9-10,13-14,17-24H,7-8,11-12,15-16H2,1-2H3
InChIKey GECDOJDTEFFFBP-UHFFFAOYSA-N
Mol Weight 722.9 g/mol
Molecular Formula C40H34N8O2S2
Exact Mass 722.224615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hFd2SdEWIu
Name 1,1'-(5,5'-([1,1'-Biphenyl]-4,4'-diyl)bis(5-((3,4-dihydronaphthalen-1(2H)-ylidene)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 C40H34N8O2S2
InChI InChI=1S/C40H34N8O2S2/c1-25(49)37-45-47(39(51-37)43-41-35-15-7-11-29-9-3-5-13-33(29)35)31-21-17-27(18-22-31)28-19-23-32(24-20-28)48-40(52-38(46-48)26(2)50)44-42-36-16-8-12-30-10-4-6-14-34(30)36/h3-6,9-10,13-14,17-24H,7-8,11-12,15-16H2,1-2H3
InChIKey GECDOJDTEFFFBP-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3108
Molecular Weight 722.886 g/mol
SMILES c1c(ccc(c1)N1N=C(SC1=NN=C1CCCc2c1cccc2)C(=O)C)-c1ccc(cc1)N1N=C(SC1=NN=C1c2c(CCC1)cccc2)C(=O)C
SPLASH splash10-029w-0192110000-ae67cd62408aa065b1f4
Source of Spectrum Y-55-850-9d
Wiley ID 1879106