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5,11,17,23,29,35-Hexa(t-butyl)-37,38,40,41-tetramethoxy-39,42-[(2',6'-pyridinediyl)-bis(methyleneoxy)]calix[6]arene
SpectraBase Compound ID CiBAA0o0DA8
InChI InChI=1S/C77H97NO6/c1-72(2,3)58-32-46-26-47-33-59(73(4,5)6)37-51(67(47)80-20)29-56-42-63(77(16,17)18)43-57-31-53-39-61(75(10,11)12)35-49(69(53)82-22)27-48-34-60(74(7,8)9)38-52(68(48)81-21)30-55-41-62(76(13,14)15)40-54(28-50(36-58)66(46)79-19)70(55)83-44-64-24-23-25-65(78-64)45-84-71(56)57/h23-25,32-43H,26-31,44-45H2,1-22H3
InChIKey YJSRJSRIGWMJBM-UHFFFAOYSA-N
Mol Weight 1132.6 g/mol
Molecular Formula C77H97NO6
Exact Mass 1131.73159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RqbS4ElHq
Name 5,11,17,23,29,35-Hexa(t-butyl)-37,38,40,41-tetramethoxy-39,42-[(2',6'-pyridinediyl)-bis(methyleneoxy)]calix[6]arene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C77H97NO6
InChI InChI=1S/C77H97NO6/c1-72(2,3)58-32-46-26-47-33-59(73(4,5)6)37-51(67(47)80-20)29-56-42-63(77(16,17)18)43-57-31-53-39-61(75(10,11)12)35-49(69(53)82-22)27-48-34-60(74(7,8)9)38-52(68(48)81-21)30-55-41-62(76(13,14)15)40-54(28-50(36-58)66(46)79-19)70(55)83-44-64-24-23-25-65(78-64)45-84-71(56)57/h23-25,32-43H,26-31,44-45H2,1-22H3
InChIKey YJSRJSRIGWMJBM-UHFFFAOYSA-N
Molecular Weight 1132.624 g/mol
SMILES c12c3c(Cc4c(c(Cc5c(c(Cc6c(OCc7nc(CO3)ccc7)c(Cc3c(c(Cc7c(c(C1)cc(c7)C(C)(C)C)OC)cc(c3)C(C)(C)C)OC)cc(C(C)(C)C)c6)cc(c5)C(C)(C)C)OC)cc(c4)C(C)(C)C)OC)cc(c2)C(C)(C)C
SPLASH splash10-0ue9-0900000000-64073e0b26767aef47c1
Source of Spectrum U-1996-1371-2
Wiley ID 768829