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5,11,17,23-Tetrakis(dimethylaminomethyl)-25,26,27,28-tetrahydroxy-calix(4)arene

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5,11,17,23-Tetrakis(dimethylaminomethyl)-25,26,27,28-tetrahydroxy-calix(4)arene
SpectraBase Compound ID KA5EoDIiMFJ
InChI InChI=1S/C40H52N4O4/c1-41(2)21-25-9-29-17-31-11-26(22-42(3)4)13-33(38(31)46)19-35-15-28(24-44(7)8)16-36(40(35)48)20-34-14-27(23-43(5)6)12-32(39(34)47)18-30(10-25)37(29)45/h9-16,45-48H,17-24H2,1-8H3
InChIKey CHOMEDBXBPXALL-UHFFFAOYSA-N
Mol Weight 652.9 g/mol
Molecular Formula C40H52N4O4
Exact Mass 652.398856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26QihM1T7SC
Name 5,11,17,23-Tetrakis(dimethylaminomethyl)-25,26,27,28-tetrahydroxy-calix(4)arene
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H52N4O4
InChI InChI=1S/C40H52N4O4/c1-41(2)21-25-9-29-17-31-11-26(22-42(3)4)13-33(38(31)46)19-35-15-28(24-44(7)8)16-36(40(35)48)20-34-14-27(23-43(5)6)12-32(39(34)47)18-30(10-25)37(29)45/h9-16,45-48H,17-24H2,1-8H3
InChIKey CHOMEDBXBPXALL-UHFFFAOYSA-N
Instrument Name Varian XL-300
Literature Reference C.D. Gutsche, K.C.Nam, J. Am. Chem. Soc. 110, 6153 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6