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5,11,17,23,29,35-HEXAHYDROXY-37,38,39,40,41,42-HEXAKIS-[(N,N-DIETHYLAMINOCARBONYL)-METHOXY]-CALIX-[6]-ARENE
SpectraBase Compound ID ANcWgKZ6DOv
InChI InChI=1S/C78H102N6O18/c1-13-79(14-2)67(91)43-97-73-49-25-51-33-62(86)35-53(74(51)98-44-68(92)80(15-3)16-4)27-55-37-64(88)39-57(76(55)100-46-70(94)82(19-7)20-8)29-59-41-66(90)42-60(78(59)102-48-72(96)84(23-11)24-12)30-58-40-65(89)38-56(77(58)101-47-71(95)83(21-9)22-10)28-54-36-63(87)34-52(26-50(73)32-61(85)31-49)75(54)99-45-69(93)81(17-5)18-6/h31-42,85-90H,13-30,43-48H2,1-12H3
InChIKey RGVIPZIOEXOBKR-UHFFFAOYSA-N
Mol Weight 1411.7 g/mol
Molecular Formula C78H102N6O18
Exact Mass 1410.72506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DAZQ8mWQiUx
Name 5,11,17,23,29,35-HEXAHYDROXY-37,38,39,40,41,42-HEXAKIS-[(N,N-DIETHYLAMINOCARBONYL)-METHOXY]-CALIX-[6]-ARENE
Compound Number 6(6)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C78H102N6O18
InChI InChI=1S/C78H102N6O18/c1-13-79(14-2)67(91)43-97-73-49-25-51-33-62(86)35-53(74(51)98-44-68(92)80(15-3)16-4)27-55-37-64(88)39-57(76(55)100-46-70(94)82(19-7)20-8)29-59-41-66(90)42-60(78(59)102-48-72(96)84(23-11)24-12)30-58-40-65(89)38-56(77(58)101-47-71(95)83(21-9)22-10)28-54-36-63(87)34-52(26-50(73)32-61(85)31-49)75(54)99-45-69(93)81(17-5)18-6/h31-42,85-90H,13-30,43-48H2,1-12H3
InChIKey RGVIPZIOEXOBKR-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 1411.697 g/mol
Solvent CDCl3
Source File Reference UWSI24127