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

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5,11,17,23-Tetrakis(N-imidazolino-methyl)-25,26,27,28-tetrahydroxy-calix(4)arene
SpectraBase Compound ID 1Blaazmcuin
InChI InChI=1S/C44H40N8O4/c53-41-33-9-29(21-49-5-1-45-25-49)10-34(41)18-36-12-31(23-51-7-3-47-27-51)14-38(43(36)55)20-40-16-32(24-52-8-4-48-28-52)15-39(44(40)56)19-37-13-30(11-35(17-33)42(37)54)22-50-6-2-46-26-50/h1-16,25-28,53-56H,17-24H2
InChIKey VYWWSSRVMZDIKO-UHFFFAOYSA-N
Mol Weight 744.9 g/mol
Molecular Formula C44H40N8O4
Exact Mass 744.317252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2H4lk3coVoG
Name 5,11,17,23-Tetrakis(N-imidazolino-methyl)-25,26,27,28-tetrahydroxy-calix(4)arene
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H40N8O4
InChI InChI=1S/C44H40N8O4/c53-41-33-9-29(21-49-5-1-45-25-49)10-34(41)18-36-12-31(23-51-7-3-47-27-51)14-38(43(36)55)20-40-16-32(24-52-8-4-48-28-52)15-39(44(40)56)19-37-13-30(11-35(17-33)42(37)54)22-50-6-2-46-26-50/h1-16,25-28,53-56H,17-24H2
InChIKey VYWWSSRVMZDIKO-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