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3,6,11,14-Tetra(tert-butyl)-2,7,10,15-tetra(biphenylyl)tetra-o-phenylene
SpectraBase Compound ID BUnWD2oPJkO
InChI InChI=1S/C88H80/c1-85(2,3)81-53-77-73(49-69(81)65-41-33-61(34-42-65)57-25-17-13-18-26-57)74-50-70(66-43-35-62(36-44-66)58-27-19-14-20-28-58)83(87(7,8)9)55-79(74)80-56-84(88(10,11)12)72(68-47-39-64(40-48-68)60-31-23-16-24-32-60)52-76(80)75-51-71(82(54-78(75)77)86(4,5)6)67-45-37-63(38-46-67)59-29-21-15-22-30-59/h13-56H,1-12H3/b74-73-,76-75-,78-77-,80-79-
InChIKey LEXNLULZZNEDTE-AXFBRTEKSA-N
Mol Weight 1137.6 g/mol
Molecular Formula C88H80
Exact Mass 1136.626003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hb1fTnL4et
Name 3,6,11,14-Tetra(tert-butyl)-2,7,10,15-tetra(biphenylyl)tetra-o-phenylene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C88H80
InChI InChI=1S/C88H80/c1-85(2,3)81-53-77-73(49-69(81)65-41-33-61(34-42-65)57-25-17-13-18-26-57)74-50-70(66-43-35-62(36-44-66)58-27-19-14-20-28-58)83(87(7,8)9)55-79(74)80-56-84(88(10,11)12)72(68-47-39-64(40-48-68)60-31-23-16-24-32-60)52-76(80)75-51-71(82(54-78(75)77)86(4,5)6)67-45-37-63(38-46-67)59-29-21-15-22-30-59/h13-56H,1-12H3/b74-73-,76-75-,78-77-,80-79-
InChIKey LEXNLULZZNEDTE-AXFBRTEKSA-N
Molecular Weight 1137.608 g/mol
SMILES c-12c(-c3c(cc(c(c3)-c3ccc(cc3)-c3ccccc3)C(C)(C)C)-c3c(-c4c1cc(c(-c1ccc(cc1)-c1ccccc1)c4)C(C)(C)C)cc(c(C(C)(C)C)c3)-c1ccc(cc1)-c1ccccc1)cc(c(c2)C(C)(C)C)-c1ccc(cc1)-c1ccccc1
SPLASH splash10-000i-0900000000-93625e294e0fb45cef35
Source of Spectrum KC-57-3733-9
Wiley ID 1623877