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(E,E,E)-4,4'-bis{2-[3,4-bis(hexyloxyphenyl)ethenyl}azobenzene
SpectraBase Compound ID 4YWis2hkGhk
InChI InChI=1S/C52H70N2O4/c1-5-9-13-17-37-55-49-35-29-45(41-51(49)57-39-19-15-11-7-3)23-21-43-25-31-47(32-26-43)53-54-48-33-27-44(28-34-48)22-24-46-30-36-50(56-38-18-14-10-6-2)52(42-46)58-40-20-16-12-8-4/h21-36,41-42H,5-20,37-40H2,1-4H3/b23-21+,24-22+,54-53+
InChIKey OLTSCRQLCFYPBV-UPIDSRMYSA-N
Mol Weight 787.1 g/mol
Molecular Formula C52H70N2O4
Exact Mass 786.533559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSFnIkq3F8d
Name (E,E,E)-4,4'-bis{2-[3,4-bis(hexyloxyphenyl)ethenyl}azobenzene
CAS Registry Number 138433-06-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H70N2O4
InChI InChI=1S/C52H70N2O4/c1-5-9-13-17-37-55-49-35-29-45(41-51(49)57-39-19-15-11-7-3)23-21-43-25-31-47(32-26-43)53-54-48-33-27-44(28-34-48)22-24-46-30-36-50(56-38-18-14-10-6-2)52(42-46)58-40-20-16-12-8-4/h21-36,41-42H,5-20,37-40H2,1-4H3/b23-21+,24-22+,54-53+
InChIKey OLTSCRQLCFYPBV-UPIDSRMYSA-N
Molecular Weight 787.142 g/mol
SMILES c1(\N=N\c2ccc(\C=C\c3cc(OCCCCCC)c(cc3)OCCCCCC)cc2)ccc(\C=C\c2cc(OCCCCCC)c(cc2)OCCCCCC)cc1
SPLASH splash10-000f-9122000600-4b811d21dd1a2ab44731
Source of Spectrum K-125-896-5
Synonyms (E)-1,2-bis(4-{(E)-2-[3,4-bis(hexyloxy)phenyl]ethenyl}phenyl)diazene
Wiley ID 1416977