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5,11,17,23,29,35-Hexa(t-butyl)-37,38,40,41-tetrabenzyloxy-39,42-[(2',6'-pyridinediyl)-bis(methyleneoxy)]calix[6]arene
SpectraBase Compound ID GiSkXRnX3ic
InChI InChI=1S/C101H113NO6/c1-96(2,3)82-48-70-42-71-49-83(97(4,5)6)53-75(91(71)104-61-67-34-25-20-26-35-67)45-80-58-87(101(16,17)18)59-81-47-77-55-85(99(10,11)12)51-73(93(77)106-63-69-38-29-22-30-39-69)43-72-50-84(98(7,8)9)54-76(92(72)105-62-68-36-27-21-28-37-68)46-79-57-86(100(13,14)15)56-78(44-74(52-82)90(70)103-60-66-32-23-19-24-33-66)94(79)107-64-88-40-31-41-89(102-88)65-108-95(80)81/h19-41,48-59H,42-47,60-65H2,1-18H3
InChIKey PFMCITQNDITWBE-UHFFFAOYSA-N
Mol Weight 1437.0 g/mol
Molecular Formula C101H113NO6
Exact Mass 1435.85679 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51MSTuCkM9Y
Name 5,11,17,23,29,35-Hexa(t-butyl)-37,38,40,41-tetrabenzyloxy-39,42-[(2',6'-pyridinediyl)-bis(methyleneoxy)]calix[6]arene
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Formula C101H113NO6
InChI InChI=1S/C101H113NO6/c1-96(2,3)82-48-70-42-71-49-83(97(4,5)6)53-75(91(71)104-61-67-34-25-20-26-35-67)45-80-58-87(101(16,17)18)59-81-47-77-55-85(99(10,11)12)51-73(93(77)106-63-69-38-29-22-30-39-69)43-72-50-84(98(7,8)9)54-76(92(72)105-62-68-36-27-21-28-37-68)46-79-57-86(100(13,14)15)56-78(44-74(52-82)90(70)103-60-66-32-23-19-24-33-66)94(79)107-64-88-40-31-41-89(102-88)65-108-95(80)81/h19-41,48-59H,42-47,60-65H2,1-18H3
InChIKey PFMCITQNDITWBE-UHFFFAOYSA-N
Molecular Weight 1437.016 g/mol
SMILES c12c3c(Cc4c(c(Cc5c(c(Cc6c(c(cc(C(C)(C)C)c6)Cc6c(c(Cc7c(c(C1)cc(C(C)(C)C)c7)OCc1ccccc1)cc(c6)C(C)(C)C)OCc1ccccc1)OCc1nc(CO3)ccc1)cc(c5)C(C)(C)C)OCc1ccccc1)cc(c4)C(C)(C)C)OCc1ccccc1)cc(c2)C(C)(C)C
SPLASH splash10-0006-9001000000-4a4a7ef058ba0d32d333
Source of Spectrum U-1996-1371-5
Wiley ID 768825