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3,6,11,14-Tetra(tert-butyl)-2,7,10,15-tetrakis(4-methoxyphenyl)tetra-o-phenylene
SpectraBase Compound ID LnQ2GpxJPKo
InChI InChI=1S/C68H72O4/c1-65(2,3)61-37-57-53(33-49(61)41-17-25-45(69-13)26-18-41)54-34-50(42-19-27-46(70-14)28-20-42)63(67(7,8)9)39-59(54)60-40-64(68(10,11)12)52(44-23-31-48(72-16)32-24-44)36-56(60)55-35-51(43-21-29-47(71-15)30-22-43)62(38-58(55)57)66(4,5)6/h17-40H,1-16H3/b54-53-,56-55-,58-57-,60-59-
InChIKey XCXFALYWWYEUIX-XWHRLCKYSA-N
Mol Weight 953.3 g/mol
Molecular Formula C68H72O4
Exact Mass 952.543061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjO7rhbk5tk
Name 3,6,11,14-Tetra(tert-butyl)-2,7,10,15-tetrakis(4-methoxyphenyl)tetra-o-phenylene
Comments Less than 3 mono-isotopic peaks
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Formula C68H72O4
InChI InChI=1S/C68H72O4/c1-65(2,3)61-37-57-53(33-49(61)41-17-25-45(69-13)26-18-41)54-34-50(42-19-27-46(70-14)28-20-42)63(67(7,8)9)39-59(54)60-40-64(68(10,11)12)52(44-23-31-48(72-16)32-24-44)36-56(60)55-35-51(43-21-29-47(71-15)30-22-43)62(38-58(55)57)66(4,5)6/h17-40H,1-16H3/b54-53-,56-55-,58-57-,60-59-
InChIKey XCXFALYWWYEUIX-XWHRLCKYSA-N
Molecular Weight 953.320 g/mol
SMILES c1-2c(-c3c(cc(c(c3)-c3ccc(cc3)OC)C(C)(C)C)-c3c(-c4c2cc(c(-c2ccc(cc2)OC)c4)C(C)(C)C)cc(c(C(C)(C)C)c3)-c2ccc(cc2)OC)cc(c(c1)C(C)(C)C)-c1ccc(cc1)OC
SPLASH splash10-0udi-0000000009-61335edd3531e62db865
Source of Spectrum KC-57-3734-11
Synonyms 2,7,10,15-tetra-tert-butyl-3,6,11,14-tetrakis(4-methoxyphenyl)tetraphenylene
Wiley ID 1623874