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5,11,17,23-Tetrakis(2-carboxy-ethyl)-25,26,27,28-tetrahydroxy-calix(4)arene

View entire compound with spectra: 1 NMR

5,11,17,23-Tetrakis(2-carboxy-ethyl)-25,26,27,28-tetrahydroxy-calix(4)arene
SpectraBase Compound ID A6NjvPdSuZI
InChI InChI=1S/C40H40O12/c41-33(42)5-1-21-9-25-17-27-11-22(2-6-34(43)44)13-29(38(27)50)19-31-15-24(4-8-36(47)48)16-32(40(31)52)20-30-14-23(3-7-35(45)46)12-28(39(30)51)18-26(10-21)37(25)49/h9-16,49-52H,1-8,17-20H2,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
InChIKey RDUBSUSYWJIVJT-UHFFFAOYSA-N
Mol Weight 712.7 g/mol
Molecular Formula C40H40O12
Exact Mass 712.251977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Um4ARODoO
Name 5,11,17,23-Tetrakis(2-carboxy-ethyl)-25,26,27,28-tetrahydroxy-calix(4)arene
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H40O12
InChI InChI=1S/C40H40O12/c41-33(42)5-1-21-9-25-17-27-11-22(2-6-34(43)44)13-29(38(27)50)19-31-15-24(4-8-36(47)48)16-32(40(31)52)20-30-14-23(3-7-35(45)46)12-28(39(30)51)18-26(10-21)37(25)49/h9-16,49-52H,1-8,17-20H2,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
InChIKey RDUBSUSYWJIVJT-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