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5,11,17,23,29,35-HEXAKIS-[(N,N-DIETHYLAMINOCARBONYL)-METHOXY]-37,38,39,40,41,42-HEXAMETHOXYCALIX-[6]-ARENE
SpectraBase Compound ID CCEOXWxSuvr
InChI InChI=1S/C84H114N6O18/c1-19-85(20-2)73(91)49-103-79-55-31-57-39-68(98-14)41-59(80(57)104-50-74(92)86(21-3)22-4)33-61-43-70(100-16)45-63(82(61)106-52-76(94)88(25-7)26-8)35-65-47-72(102-18)48-66(84(65)108-54-78(96)90(29-11)30-12)36-64-46-71(101-17)44-62(83(64)107-53-77(95)89(27-9)28-10)34-60-42-69(99-15)40-58(32-56(79)38-67(37-55)97-13)81(60)105-51-75(93)87(23-5)24-6/h37-48H,19-36,49-54H2,1-18H3
InChIKey JZXPTLAFAUSYGX-UHFFFAOYSA-N
Mol Weight 1495.9 g/mol
Molecular Formula C84H114N6O18
Exact Mass 1494.818961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3n3SkjlEQAP
Name 5,11,17,23,29,35-HEXAKIS-[(N,N-DIETHYLAMINOCARBONYL)-METHOXY]-37,38,39,40,41,42-HEXAMETHOXYCALIX-[6]-ARENE
Compound Number 12(6)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C84H114N6O18
InChI InChI=1S/C84H114N6O18/c1-19-85(20-2)73(91)49-103-79-55-31-57-39-68(98-14)41-59(80(57)104-50-74(92)86(21-3)22-4)33-61-43-70(100-16)45-63(82(61)106-52-76(94)88(25-7)26-8)35-65-47-72(102-18)48-66(84(65)108-54-78(96)90(29-11)30-12)36-64-46-71(101-17)44-62(83(64)107-53-77(95)89(27-9)28-10)34-60-42-69(99-15)40-58(32-56(79)38-67(37-55)97-13)81(60)105-51-75(93)87(23-5)24-6/h37-48H,19-36,49-54H2,1-18H3
InChIKey JZXPTLAFAUSYGX-UHFFFAOYSA-N
Literature Reference Author A.CASNATI,S.BARBOSO,H.ROUQUETTE,M.J.SCHWING-WEILL,F.ARNAUD-N EU,J.F.DOZOL,R.UNGAR
Literature Reference Citation J.AM.CHEM.SOC.,123,12182(2001)
Literature Reference DOI 10.1021/ja016597f
Molecular Weight 1495.859 g/mol
Solvent CDCl3
Source File Reference UWSI24128