For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

5,11,17,23-Tetrakis(2-nitro-2-ethoxycarbonyl-ethyl)-25,26,27,28-tetrahydroxy-calix(4)arene
SpectraBase Compound ID 7iGI9nZPjq3
InChI InChI=1S/C48H52N4O20/c1-5-69-45(57)37(49(61)62)17-25-9-29-21-31-11-26(18-38(50(63)64)46(58)70-6-2)13-33(42(31)54)23-35-15-28(20-40(52(67)68)48(60)72-8-4)16-36(44(35)56)24-34-14-27(19-39(51(65)66)47(59)71-7-3)12-32(43(34)55)22-30(10-25)41(29)53/h9-16,37-40,53-56H,5-8,17-24H2,1-4H3
InChIKey JXUFQZUTASEYST-UHFFFAOYSA-N
Mol Weight 1005.0 g/mol
Molecular Formula C48H52N4O20
Exact Mass 1004.31749 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6YPixWrAPnM
Name 5,11,17,23-Tetrakis(2-nitro-2-ethoxycarbonyl-ethyl)-25,26,27,28-tetrahydroxy-calix(4)arene
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C48H52N4O20
InChI InChI=1S/C48H52N4O20/c1-5-69-45(57)37(49(61)62)17-25-9-29-21-31-11-26(18-38(50(63)64)46(58)70-6-2)13-33(42(31)54)23-35-15-28(20-40(52(67)68)48(60)72-8-4)16-36(44(35)56)24-34-14-27(19-39(51(65)66)47(59)71-7-3)12-32(43(34)55)22-30(10-25)41(29)53/h9-16,37-40,53-56H,5-8,17-24H2,1-4H3
InChIKey JXUFQZUTASEYST-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