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5,11,17,23-Tetrakis(2-ammonium-ethyl)-25,26,27,28-tetrakis([4-bromo-phenylsulfonyl]-oxy)-calix(4)arene tetracation
SpectraBase Compound ID AhYYUSyYC9n
InChI InChI=1S/C60H56Br4N4O12S4/c61-49-1-9-53(10-2-49)81(69,70)77-57-41-25-37(17-21-65)26-42(57)34-44-28-39(19-23-67)30-46(59(44)79-83(73,74)55-13-5-51(63)6-14-55)36-48-32-40(20-24-68)31-47(60(48)80-84(75,76)56-15-7-52(64)8-16-56)35-45-29-38(18-22-66)27-43(33-41)58(45)78-82(71,72)54-11-3-50(62)4-12-54/h1-16,25-32H,17-24,33-36,65-68H2/p+4
InChIKey GUPPHJDZXLDOBJ-UHFFFAOYSA-R
Mol Weight 1477.0 g/mol
Molecular Formula C60H60Br4N4O12S4
Exact Mass 1471.98241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3opLLoQnXGS
Name 5,11,17,23-Tetrakis(2-ammonium-ethyl)-25,26,27,28-tetrakis([4-bromo-phenylsulfonyl]-oxy)-calix(4)arene tetracation
Comments hydrochloride
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C60H60Br4N4O12S4
InChI InChI=1S/C60H56Br4N4O12S4/c61-49-1-9-53(10-2-49)81(69,70)77-57-41-25-37(17-21-65)26-42(57)34-44-28-39(19-23-67)30-46(59(44)79-83(73,74)55-13-5-51(63)6-14-55)36-48-32-40(20-24-68)31-47(60(48)80-84(75,76)56-15-7-52(64)8-16-56)35-45-29-38(18-22-66)27-43(33-41)58(45)78-82(71,72)54-11-3-50(62)4-12-54/h1-16,25-32H,17-24,33-36,65-68H2/p+4
InChIKey GUPPHJDZXLDOBJ-UHFFFAOYSA-R
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 CDCl3