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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPJoQX0JiIG
Name 4,4''-Dioctyl-2',3'-bis(4-octylphenyl)-1,1':4',1''-terphenyl
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 c1(c(c(-c2ccc(cc2)CCCCCCCC)ccc1-c1ccc(cc1)CCCCCCCC)-c1ccc(cc1)CCCCCCCC)-c1ccc(cc1)CCCCCCCC
SPLASH splash10-001i-0000000090-60b362a1842bd37726cc
Source of Spectrum F4-44-1932-4c
Wiley ID 1707331