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(E,E,E)-bis{4-[2-(4-dodecyloxyphenyl)ethenyl]phenyl}diazene
SpectraBase Compound ID 2RAxUP3ngS9
InChI InChI=1S/C52H70N2O2/c1-3-5-7-9-11-13-15-17-19-21-43-55-51-39-31-47(32-40-51)25-23-45-27-35-49(36-28-45)53-54-50-37-29-46(30-38-50)24-26-48-33-41-52(42-34-48)56-44-22-20-18-16-14-12-10-8-6-4-2/h23-42H,3-22,43-44H2,1-2H3/b25-23+,26-24+,54-53+
InChIKey FZTTWAKFGOILJN-CWKYHRJBSA-N
Mol Weight 755.1 g/mol
Molecular Formula C52H70N2O2
Exact Mass 754.54373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KnWVxo42SgM
Name (E,E,E)-bis{4-[2-(4-Dodecyloxyphenyl)ethenyl]phenyl}diazene
Comments Computed using HOSE algorithm
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Exact Mass 754.543729500 u
Formula C52H70N2O2
InChI InChI=1S/C52H70N2O2/c1-3-5-7-9-11-13-15-17-19-21-43-55-51-39-31-47(32-40-51)25-23-45-27-35-49(36-28-45)53-54-50-37-29-46(30-38-50)24-26-48-33-41-52(42-34-48)56-44-22-20-18-16-14-12-10-8-6-4-2/h23-42H,3-22,43-44H2,1-2H3/b25-23+,26-24+,54-53+
InChIKey FZTTWAKFGOILJN-CWKYHRJBSA-N
Molecular Weight 755.144 g/mol
SMILES C=1(\N=N\C=2C=CC(\C=C\C3=CC=C(C=C3)OCCCCCCCCCCCC)=CC2)C=CC(\C=C\C=2C=CC(=CC2)OCCCCCCCCCCCC)=CC1