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5,11,17,23,29,35-Hexa(t-butyl)-37,40 : 38,41-bis(methylenedioxy)-39,42-[(2',6'-pyridinediyl)-bis(methyleneoxy)]calix[6]arene

View entire compound with spectra: 1 MS (GC)

5,11,17,23,29,35-Hexa(t-butyl)-37,40 : 38,41-bis(methylenedioxy)-39,42-[(2',6'-pyridinediyl)-bis(methyleneoxy)]calix[6]arene
SpectraBase Compound ID BReN2rNneZD
InChI InChI=1S/C75H89NO6/c1-70(2,3)56-28-44-22-48-32-58(72(7,8)9)36-52-26-54-38-60(74(13,14)15)34-50(68(54)81-42-79-66(48)52)24-46-30-57(71(4,5)6)31-47-25-51-35-61(75(16,17)18)39-55-27-53-37-59(73(10,11)12)33-49(67(53)80-43-82-69(51)55)23-45(29-56)64(44)77-40-62-20-19-21-63(76-62)41-78-65(46)47/h19-21,28-39H,22-27,40-43H2,1-18H3
InChIKey MGZQKBSFFMEMNZ-UHFFFAOYSA-N
Mol Weight 1100.5 g/mol
Molecular Formula C75H89NO6
Exact Mass 1099.66899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7peU2nvxVIg
Name 5,11,17,23,29,35-Hexa(t-butyl)-37,40 : 38,41-bis(methylenedioxy)-39,42-[(2',6'-pyridinediyl)-bis(methyleneoxy)]calix[6]arene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C75H89NO6
InChI InChI=1S/C75H89NO6/c1-70(2,3)56-28-44-22-48-32-58(72(7,8)9)36-52-26-54-38-60(74(13,14)15)34-50(68(54)81-42-79-66(48)52)24-46-30-57(71(4,5)6)31-47-25-51-35-61(75(16,17)18)39-55-27-53-37-59(73(10,11)12)33-49(67(53)80-43-82-69(51)55)23-45(29-56)64(44)77-40-62-20-19-21-63(76-62)41-78-65(46)47/h19-21,28-39H,22-27,40-43H2,1-18H3
InChIKey MGZQKBSFFMEMNZ-UHFFFAOYSA-N
Molecular Weight 1100.538 g/mol
SMILES c12c3c(Cc4c5c(Cc6c(c(Cc7c(c(cc(c7)C(C)(C)C)Cc7c8OCOc9c(Cc8cc(C(C)(C)C)c7)cc(cc9C1)C(C)(C)C)OCc1nc(CO3)ccc1)cc(c6)C(C)(C)C)OCO5)cc(c4)C(C)(C)C)cc(c2)C(C)(C)C
SPLASH splash10-0udi-2900000000-d72d3b8f5e4aba673bbc
Source of Spectrum U-1996-1372-6
Wiley ID 768822