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5,11,17-TRIS-(1,1-DIMETHYLETHYL)-25,26,27,28-TETRAKIS-(ETHOXYETHOXY)-23-NITROCALIX-[4]-ARENE
SpectraBase Compound ID 361EWMGzMd8
InChI InChI=1S/C56H79NO10/c1-14-60-18-22-64-50-38-26-40-32-47(55(8,9)10)34-42(51(40)65-23-19-61-15-2)28-44-36-49(57(58)59)37-45(53(44)67-25-21-63-17-4)29-43-35-48(56(11,12)13)33-41(52(43)66-24-20-62-16-3)27-39(50)31-46(30-38)54(5,6)7/h30-37H,14-29H2,1-13H3
InChIKey IXHQHTUZAPVUQD-UHFFFAOYSA-N
Mol Weight 926.2 g/mol
Molecular Formula C56H79NO10
Exact Mass 925.570398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AxRvehzyc3V
Name 5,11,17-TRIS-(1,1-DIMETHYLETHYL)-25,26,27,28-TETRAKIS-(ETHOXYETHOXY)-23-NITROCALIX-[4]-ARENE
CAS Registry Number 137571-13-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H79NO10
InChI InChI=1S/C56H79NO10/c1-14-60-18-22-64-50-38-26-40-32-47(55(8,9)10)34-42(51(40)65-23-19-61-15-2)28-44-36-49(57(58)59)37-45(53(44)67-25-21-63-17-4)29-43-35-48(56(11,12)13)33-41(52(43)66-24-20-62-16-3)27-39(50)31-46(30-38)54(5,6)7/h30-37H,14-29H2,1-13H3
InChIKey IXHQHTUZAPVUQD-UHFFFAOYSA-N
Literature Reference Author W.VERBOOM,A.DURIE,R.J.M.EGBERINK,Z.ASFARI,D.N.REINHOUDT
Literature Reference Citation J.ORG.CHEM.,57,1313(1992)
Literature Reference DOI 10.1021/jo00030a050
Molecular Weight 926.244 g/mol
Solvent CDCl3
Source File Reference UWCS3393