For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,10-(5,5'-([1,1'-Biphenyl]-4,40-diyl)bis(5-(((1,3-diphenyl-1H- pyrazol-4-yl)methylene) hydrazono)-4,5-dihydro-1,3,4-thiadiazole-4,2-diyl))bis(ethan-1-one)

View entire compound with spectra: 1 MS (GC)

1,10-(5,5'-([1,1'-Biphenyl]-4,40-diyl)bis(5-(((1,3-diphenyl-1H- pyrazol-4-yl)methylene) hydrazono)-4,5-dihydro-1,3,4-thiadiazole-4,2-diyl))bis(ethan-1-one)
SpectraBase Compound ID dWg3Ybra3t
InChI InChI=1S/C52H38N12O2S2/c1-35(65)49-59-63(51(67-49)55-53-31-41-33-61(43-19-11-5-12-20-43)57-47(41)39-15-7-3-8-16-39)45-27-23-37(24-28-45)38-25-29-46(30-26-38)64-52(68-50(60-64)36(2)66)56-54-32-42-34-62(44-21-13-6-14-22-44)58-48(42)40-17-9-4-10-18-40/h3-34H,1-2H3
InChIKey SQHGPNKNGBKAQS-UHFFFAOYSA-N
Mol Weight 927.1 g/mol
Molecular Formula C52H38N12O2S2
Exact Mass 926.268211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6ZET16Ms1kF
Name 1,10-(5,5'-([1,1'-Biphenyl]-4,40-diyl)bis(5-(((1,3-diphenyl-1H- pyrazol-4-yl)methylene) 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 C52H38N12O2S2
InChI InChI=1S/C52H38N12O2S2/c1-35(65)49-59-63(51(67-49)55-53-31-41-33-61(43-19-11-5-12-20-43)57-47(41)39-15-7-3-8-16-39)45-27-23-37(24-28-45)38-25-29-46(30-26-38)64-52(68-50(60-64)36(2)66)56-54-32-42-34-62(44-21-13-6-14-22-44)58-48(42)40-17-9-4-10-18-40/h3-34H,1-2H3
InChIKey SQHGPNKNGBKAQS-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3108
Molecular Weight 927.078 g/mol
SMILES c1c(ccc(c1)N1N=C(SC1=NN=Cc1c[n](nc1-c1ccccc1)-c1ccccc1)C(=O)C)-c1ccc(cc1)N1N=C(SC1=NN=Cc1c(n[n](c1)-c1ccccc1)-c1ccccc1)C(=O)C
SPLASH splash10-000t-3913042300-1873139e6fcc058ccc24
Source of Spectrum Y-55-849-5d
Wiley ID 1879101