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

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5,11,17,23-Tetrakis(ethylthio-methyl)-25,26,27,28-tetrahydroxy-calix(4)arene
SpectraBase Compound ID 8idzHapPg0e
InChI InChI=1S/C40H48O4S4/c1-5-45-21-25-9-29-17-31-11-26(22-46-6-2)13-33(38(31)42)19-35-15-28(24-48-8-4)16-36(40(35)44)20-34-14-27(23-47-7-3)12-32(39(34)43)18-30(10-25)37(29)41/h9-16,41-44H,5-8,17-24H2,1-4H3
InChIKey WVGXRRPNMHWXOB-UHFFFAOYSA-N
Mol Weight 721.1 g/mol
Molecular Formula C40H48O4S4
Exact Mass 720.243545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOat64MJGy8
Name 5,11,17,23-Tetrakis(ethylthio-methyl)-25,26,27,28-tetrahydroxy-calix(4)arene
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H48O4S4
InChI InChI=1S/C40H48O4S4/c1-5-45-21-25-9-29-17-31-11-26(22-46-6-2)13-33(38(31)42)19-35-15-28(24-48-8-4)16-36(40(35)44)20-34-14-27(23-47-7-3)12-32(39(34)43)18-30(10-25)37(29)41/h9-16,41-44H,5-8,17-24H2,1-4H3
InChIKey WVGXRRPNMHWXOB-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