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5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[2-(PIPERIDINO)-ETHOXY]-CALIX-[4]-ARENE
SpectraBase Compound ID ADMN9S6Zsdy
InChI InChI=1S/C64H94N2O4S2/c1-61(2,3)53-37-45-33-49-41-55(63(7,8)9)43-51(59(49)69-29-31-71-13)35-47-39-54(62(4,5)6)40-48(58(47)68-28-26-66-23-19-16-20-24-66)36-52-44-56(64(10,11)12)42-50(60(52)70-30-32-72-14)34-46(38-53)57(45)67-27-25-65-21-17-15-18-22-65/h37-44H,15-36H2,1-14H3
InChIKey NEKKQDQQVYWLNH-UHFFFAOYSA-N
Mol Weight 1019.6 g/mol
Molecular Formula C64H94N2O4S2
Exact Mass 1018.665502 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9q9yEmK1SYQ
Name 5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[2-(PIPERIDINO)-ETHOXY]-CALIX-[4]-ARENE
Compound Number 2F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H94N2O4S2
InChI InChI=1S/C64H94N2O4S2/c1-61(2,3)53-37-45-33-49-41-55(63(7,8)9)43-51(59(49)69-29-31-71-13)35-47-39-54(62(4,5)6)40-48(58(47)68-28-26-66-23-19-16-20-24-66)36-52-44-56(64(10,11)12)42-50(60(52)70-30-32-72-14)34-46(38-53)57(45)67-27-25-65-21-17-15-18-22-65/h37-44H,15-36H2,1-14H3
InChIKey NEKKQDQQVYWLNH-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 1019.581 g/mol
Solvent CDCl3
Source File Reference UWSI7345