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5,11,17,23,29,35-Hexa(T-butyl)-37,38,40,41-tetramethoxy-39,42-[(2',6'-(4''-methoxypyridine)diyl)-bis(methyleneoxy)]calix[6]arene
SpectraBase Compound ID FX4DOHo7PRt
InChI InChI=1S/C78H99NO7/c1-73(2,3)58-30-46-24-47-31-59(74(4,5)6)35-51(68(47)82-21)27-56-40-63(78(16,17)18)41-57-29-53-37-61(76(10,11)12)33-49(70(53)84-23)25-48-32-60(75(7,8)9)36-52(69(48)83-22)28-55-39-62(77(13,14)15)38-54(26-50(34-58)67(46)81-20)71(55)85-44-64-42-66(80-19)43-65(79-64)45-86-72(56)57/h30-43H,24-29,44-45H2,1-23H3
InChIKey XQQJDQWYACIZHL-UHFFFAOYSA-N
Mol Weight 1162.6 g/mol
Molecular Formula C78H99NO7
Exact Mass 1161.742155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kt4IT9nB7Ra
Name 5,11,17,23,29,35-Hexa(t-butyl)-37,38,40,41-tetramethoxy-39,42-[(2',6'-(4"-methoxypyridine)diyl)-bis(methyleneoxy)]calix[6]arene
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Formula C78H99NO7
InChI InChI=1S/C78H99NO7/c1-73(2,3)58-30-46-24-47-31-59(74(4,5)6)35-51(68(47)82-21)27-56-40-63(78(16,17)18)41-57-29-53-37-61(76(10,11)12)33-49(70(53)84-23)25-48-32-60(75(7,8)9)36-52(69(48)83-22)28-55-39-62(77(13,14)15)38-54(26-50(34-58)67(46)81-20)71(55)85-44-64-42-66(80-19)43-65(79-64)45-86-72(56)57/h30-43H,24-29,44-45H2,1-23H3
InChIKey XQQJDQWYACIZHL-UHFFFAOYSA-N
Molecular Weight 1162.650 g/mol
SMILES c12c3c(Cc4c(c(Cc5c(c(cc(c5)C(C)(C)C)Cc5c(c(cc(c5)C(C)(C)C)Cc5c(c(Cc6c(c(C1)cc(c6)C(C)(C)C)OC)cc(c5)C(C)(C)C)OC)OCc1nc(CO3)cc(c1)OC)OC)cc(c4)C(C)(C)C)OC)cc(c2)C(C)(C)C
SPLASH splash10-01q9-0900000000-95c40dd0c2c346526286
Source of Spectrum U-1996-1371-2
Wiley ID 768828