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37,38,39,40,41,42-HEXAKIS-(3-AMINOPROPOXY)-CALIX-[6]-ARENE
SpectraBase Compound ID 5S68eQsmNZE
InChI InChI=1S/C60H78N6O6/c61-25-7-31-67-55-43-13-1-14-44(55)38-46-16-3-18-48(57(46)69-33-9-27-63)40-50-20-5-22-52(59(50)71-35-11-29-65)42-54-24-6-23-53(60(54)72-36-12-30-66)41-51-21-4-19-49(58(51)70-34-10-28-64)39-47-17-2-15-45(37-43)56(47)68-32-8-26-62/h1-6,13-24H,7-12,25-42,61-66H2
InChIKey IPCAWKJNSBEFGH-UHFFFAOYSA-N
Mol Weight 979.3 g/mol
Molecular Formula C60H78N6O6
Exact Mass 978.598284 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BIglmqdzJd7
Name 37,38,39,40,41,42-HEXAKIS-(3-AMINOPROPOXY)-CALIX-[6]-ARENE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H78N6O6
InChI InChI=1S/C60H78N6O6/c61-25-7-31-67-55-43-13-1-14-44(55)38-46-16-3-18-48(57(46)69-33-9-27-63)40-50-20-5-22-52(59(50)71-35-11-29-65)42-54-24-6-23-53(60(54)72-36-12-30-66)41-51-21-4-19-49(58(51)70-34-10-28-64)39-47-17-2-15-45(37-43)56(47)68-32-8-26-62/h1-6,13-24H,7-12,25-42,61-66H2
InChIKey IPCAWKJNSBEFGH-UHFFFAOYSA-N
Literature Reference Author A.CASNATI,N.D.CA,M.FONTANELLA,F.SANSONE,F.UGOZZOLI,R.UNGARO, K.LIGER,J.F.DOZOL
Literature Reference Citation EUR.J.ORG.CHEM.,2338(2005)
Molecular Weight 979.316 g/mol
Sample ID 39349
Solvent CDCl3