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

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5,11,17,23-Tetrakis(cyanomethyl)-25,26,27,28-tetrahydroxy-calix(4)arene
SpectraBase Compound ID 70j2tvV3Nr7
InChI InChI=1S/C36H28N4O4/c37-5-1-21-9-25-17-27-11-22(2-6-38)13-29(34(27)42)19-31-15-24(4-8-40)16-32(36(31)44)20-30-14-23(3-7-39)12-28(35(30)43)18-26(10-21)33(25)41/h9-16,41-44H,1-4,17-20H2
InChIKey UHXZLPWCBWSLEB-UHFFFAOYSA-N
Mol Weight 580.6 g/mol
Molecular Formula C36H28N4O4
Exact Mass 580.211055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HEoRC4rUJtQ
Name 5,11,17,23-Tetrakis(cyanomethyl)-25,26,27,28-tetrahydroxy-calix(4)arene
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H28N4O4
InChI InChI=1S/C36H28N4O4/c37-5-1-21-9-25-17-27-11-22(2-6-38)13-29(34(27)42)19-31-15-24(4-8-40)16-32(36(31)44)20-30-14-23(3-7-39)12-28(35(30)43)18-26(10-21)33(25)41/h9-16,41-44H,1-4,17-20H2
InChIKey UHXZLPWCBWSLEB-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