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3,6,11,14-Tetra(tert-butyl)-2,7,10,15-tetraphenyltetra-o-phenylene
SpectraBase Compound ID DHdm8WCW6xA
InChI InChI=1S/C64H64/c1-61(2,3)57-37-53-49(33-45(57)41-25-17-13-18-26-41)50-34-46(42-27-19-14-20-28-42)59(63(7,8)9)39-55(50)56-40-60(64(10,11)12)48(44-31-23-16-24-32-44)36-52(56)51-35-47(43-29-21-15-22-30-43)58(38-54(51)53)62(4,5)6/h13-40H,1-12H3/b50-49-,52-51-,54-53-,56-55-
InChIKey PMIQOFGEVVNYMQ-GTYCZPHISA-N
Mol Weight 833.2 g/mol
Molecular Formula C64H64
Exact Mass 832.500802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCgyLUUpC10
Name 3,6,11,14-Tetra(tert-butyl)-2,7,10,15-tetraphenyltetra-o-phenylene
Comments Less than 3 mono-isotopic peaks
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Formula C64H64
InChI InChI=1S/C64H64/c1-61(2,3)57-37-53-49(33-45(57)41-25-17-13-18-26-41)50-34-46(42-27-19-14-20-28-42)59(63(7,8)9)39-55(50)56-40-60(64(10,11)12)48(44-31-23-16-24-32-44)36-52(56)51-35-47(43-29-21-15-22-30-43)58(38-54(51)53)62(4,5)6/h13-40H,1-12H3/b50-49-,52-51-,54-53-,56-55-
InChIKey PMIQOFGEVVNYMQ-GTYCZPHISA-N
Molecular Weight 833.216 g/mol
SMILES c1-2c(-c3c(cc(c(c3)-c3ccccc3)C(C)(C)C)-c3c(-c4c2cc(c(-c2ccccc2)c4)C(C)(C)C)cc(c(C(C)(C)C)c3)-c2ccccc2)cc(c(c1)C(C)(C)C)-c1ccccc1
SPLASH splash10-001i-0000000090-dbaa77dcc9cedcfe4e8b
Source of Spectrum KC-57-3734-10
Synonyms 2,7,10,15-tetra-tert-butyl-3,6,11,14-tetraphenyltetraphenylene
Wiley ID 1623876