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4,4''-Dioctyl-2',3'-bis(4-octylphenyl)-1,1':4',1''-terphenyl

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4,4''-Dioctyl-2',3'-bis(4-octylphenyl)-1,1':4',1''-terphenyl
SpectraBase Compound ID 7aFVre3IhVd
InChI InChI=1S/C62H86/c1-5-9-13-17-21-25-29-51-33-41-55(42-34-51)59-49-50-60(56-43-35-52(36-44-56)30-26-22-18-14-10-6-2)62(58-47-39-54(40-48-58)32-28-24-20-16-12-8-4)61(59)57-45-37-53(38-46-57)31-27-23-19-15-11-7-3/h33-50H,5-32H2,1-4H3
InChIKey RWPTXOWOMWZSIA-UHFFFAOYSA-N
Mol Weight 831.4 g/mol
Molecular Formula C62H86
Exact Mass 830.672953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RSxMakoDLM
Name 4,4''-Dioctyl-2',3'-bis(4-octylphenyl)-1,1':4',1''-terphenyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 830.672952769 u
Formula C62H86
InChI InChI=1S/C62H86/c1-5-9-13-17-21-25-29-51-33-41-55(42-34-51)59-49-50-60(56-43-35-52(36-44-56)30-26-22-18-14-10-6-2)62(58-47-39-54(40-48-58)32-28-24-20-16-12-8-4)61(59)57-45-37-53(38-46-57)31-27-23-19-15-11-7-3/h33-50H,5-32H2,1-4H3
InChIKey RWPTXOWOMWZSIA-UHFFFAOYSA-N
Molecular Weight 831.370 g/mol
SMILES C=1(C(=C(C2=CC=C(C=C2)CCCCCCCC)C=CC1C=1C=CC(=CC1)CCCCCCCC)C=1C=CC(=CC1)CCCCCCCC)C1=CC=C(C=C1)CCCCCCCC