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N2,N6-Bis(2,2'',6,6''-tetraisopropyl-[1,1':3',1''-terphenyl]-5'-yl)pyridine-2,6-diamine
SpectraBase Compound ID 7RqEehCQUXB
InChI InChI=1S/C65H79N3/c1-38(2)52-22-17-23-53(39(3)4)62(52)46-32-47(63-54(40(5)6)24-18-25-55(63)41(7)8)35-50(34-46)66-60-30-21-31-61(68-60)67-51-36-48(64-56(42(9)10)26-19-27-57(64)43(11)12)33-49(37-51)65-58(44(13)14)28-20-29-59(65)45(15)16/h17-45H,1-16H3,(H2,66,67,68)
InChIKey VNHKWOBVCOMMTI-UHFFFAOYSA-N
Mol Weight 902.4 g/mol
Molecular Formula C65H79N3
Exact Mass 901.6274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NhOHgpwQSi
Name N2,N6-Bis(2,2'',6,6''-tetraisopropyl-[1,1':3',1''-terphenyl]-5'-yl)pyridine-2,6-diamine
Appearance Pale yellow solid
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Formula C65H79N3
InChI InChI=1S/C65H79N3/c1-38(2)52-22-17-23-53(39(3)4)62(52)46-32-47(63-54(40(5)6)24-18-25-55(63)41(7)8)35-50(34-46)66-60-30-21-31-61(68-60)67-51-36-48(64-56(42(9)10)26-19-27-57(64)43(11)12)33-49(37-51)65-58(44(13)14)28-20-29-59(65)45(15)16/h17-45H,1-16H3,(H2,66,67,68)
InChIKey VNHKWOBVCOMMTI-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS or Shimadzu GSMS-QP2020
Ionization Type EI
Literature Reference DOI 10.1002/chem.202003223
Molecular Weight 902.368 g/mol
Reported Formula C65H79N3
SMILES N(c1cccc(n1)Nc1cc(cc(c1)-c1c(cccc1C(C)C)C(C)C)-c1c(cccc1C(C)C)C(C)C)c1cc(cc(c1)-c1c(cccc1C(C)C)C(C)C)-c1c(cccc1C(C)C)C(C)C
SPLASH splash10-0udi-0100000029-2294a50f6857597ff519
Source of Spectrum QE-26-SM16-58
Thin-Layer Chromatography Rf = 0.32 (SiO2, PE/EtOAc, 30:1)
Wiley ID 1841180