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5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexakis(ethoxycarbonylmethoxy)-calix(6)arene
SpectraBase Compound ID 48c8Y7LFM9B
InChI InChI=1S/C90H120O18/c1-25-97-73(91)49-103-79-55-31-57-39-68(86(10,11)12)41-59(80(57)104-50-74(92)98-26-2)33-61-43-70(88(16,17)18)45-63(82(61)106-52-76(94)100-28-4)35-65-47-72(90(22,23)24)48-66(84(65)108-54-78(96)102-30-6)36-64-46-71(89(19,20)21)44-62(83(64)107-53-77(95)101-29-5)34-60-42-69(87(13,14)15)40-58(81(60)105-51-75(93)99-27-3)32-56(79)38-67(37-55)85(7,8)9/h37-48H,25-36,49-54H2,1-24H3
InChIKey SRCAFCZTEHDYRE-UHFFFAOYSA-N
Mol Weight 1489.9 g/mol
Molecular Formula C90H120O18
Exact Mass 1488.847467 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6KZ8PI1fG4O
Name 5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexakis(ethoxycarbonylmethoxy)-calix(6)arene
Comments HITACHI R-90H SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C90H120O18
InChI InChI=1S/C90H120O18/c1-25-97-73(91)49-103-79-55-31-57-39-68(86(10,11)12)41-59(80(57)104-50-74(92)98-26-2)33-61-43-70(88(16,17)18)45-63(82(61)106-52-76(94)100-28-4)35-65-47-72(90(22,23)24)48-66(84(65)108-54-78(96)102-30-6)36-64-46-71(89(19,20)21)44-62(83(64)107-53-77(95)101-29-5)34-60-42-69(87(13,14)15)40-58(81(60)105-51-75(93)99-27-3)32-56(79)38-67(37-55)85(7,8)9/h37-48H,25-36,49-54H2,1-24H3
InChIKey SRCAFCZTEHDYRE-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference A. Yamada, T. Murase, S. Shinkai, J. Chem. Soc. Perkin II 793 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent THF-D8