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5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[2-(DIETHYLAMINO)-ETHOXY]-CALIX-[4]-ARENE
SpectraBase Compound ID IA3SAqzf5Rc
InChI InChI=1S/C62H94N2O4S2/c1-19-63(20-2)23-25-65-55-43-31-47-39-53(61(11,12)13)41-49(57(47)67-27-29-69-17)33-45-37-52(60(8,9)10)38-46(56(45)66-26-24-64(21-3)22-4)34-50-42-54(62(14,15)16)40-48(58(50)68-28-30-70-18)32-44(55)36-51(35-43)59(5,6)7/h35-42H,19-34H2,1-18H3
InChIKey VNXCSBBVUJJYNJ-UHFFFAOYSA-N
Mol Weight 995.6 g/mol
Molecular Formula C62H94N2O4S2
Exact Mass 994.665502 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3e0gmBcIBMx
Name 5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[2-(DIETHYLAMINO)-ETHOXY]-CALIX-[4]-ARENE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H94N2O4S2
InChI InChI=1S/C62H94N2O4S2/c1-19-63(20-2)23-25-65-55-43-31-47-39-53(61(11,12)13)41-49(57(47)67-27-29-69-17)33-45-37-52(60(8,9)10)38-46(56(45)66-26-24-64(21-3)22-4)34-50-42-54(62(14,15)16)40-48(58(50)68-28-30-70-18)32-44(55)36-51(35-43)59(5,6)7/h35-42H,19-34H2,1-18H3
InChIKey VNXCSBBVUJJYNJ-UHFFFAOYSA-N
Literature Reference Author A.F.D.DENAMOR,R.G.HUTCHERSON,F.J.S.VELARDE,A.ALVAREZ-LARENA, J.L.BRIANSO
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2933(1998)
Literature Reference DOI 10.1039/a802410c
Molecular Weight 995.559 g/mol
Solvent CDCl3
Source File Reference UWSI7342