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2',3'-Bis(4-octylphenyl)-1,1':4',1''-terphenyl
SpectraBase Compound ID 26phXdPZFMR
InChI InChI=1S/C46H54/c1-3-5-7-9-11-15-21-37-27-31-41(32-28-37)45-43(39-23-17-13-18-24-39)35-36-44(40-25-19-14-20-26-40)46(45)42-33-29-38(30-34-42)22-16-12-10-8-6-4-2/h13-14,17-20,23-36H,3-12,15-16,21-22H2,1-2H3
InChIKey NCVFDSJUBJNBLD-UHFFFAOYSA-N
Mol Weight 606.9 g/mol
Molecular Formula C46H54
Exact Mass 606.422552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8i3ogV2YGVR
Name 2',3'-Bis(4-octylphenyl)-1,1':4',1''-terphenyl
Alternate Name(s) 2,3-bis(4-octylphenyl)-1,4-diphenylbenzene
Comments Less than 3 mono-isotopic peaks
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Formula C46H54
InChI InChI=1S/C46H54/c1-3-5-7-9-11-15-21-37-27-31-41(32-28-37)45-43(39-23-17-13-18-24-39)35-36-44(40-25-19-14-20-26-40)46(45)42-33-29-38(30-34-42)22-16-12-10-8-6-4-2/h13-14,17-20,23-36H,3-12,15-16,21-22H2,1-2H3
InChIKey NCVFDSJUBJNBLD-UHFFFAOYSA-N
Molecular Weight 606.938 g/mol
SMILES c1(c(c(-c2ccccc2)ccc1-c1ccccc1)-c1ccc(cc1)CCCCCCCC)-c1ccc(cc1)CCCCCCCC
SPLASH splash10-0a4i-0000009000-1df0cf336ade0a9d2b32
Source of Spectrum F4-44-1931-4a
Wiley ID 1707336