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5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[(2-DIISOPROPYLAMINO)-2-OXOETHOXY]-CALIX-[4]-ARENE
SpectraBase Compound ID Ef6WAmgfCbz
InChI InChI=1S/C66H98N2O6S2/c1-41(2)67(42(3)4)57(69)39-73-61-49-27-45-31-53(63(9,10)11)33-47(59(45)71-23-25-75-21)29-51-37-56(66(18,19)20)38-52(62(51)74-40-58(70)68(43(5)6)44(7)8)30-48-34-54(64(12,13)14)32-46(60(48)72-24-26-76-22)28-50(61)36-55(35-49)65(15,16)17/h31-38,41-44H,23-30,39-40H2,1-22H3
InChIKey YBBHZWRMIIMLBY-UHFFFAOYSA-N
Mol Weight 1079.6 g/mol
Molecular Formula C66H98N2O6S2
Exact Mass 1078.686631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mlwHooL4At
Name 5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[(2-DIISOPROPYLAMINO)-2-OXOETHOXY]-CALIX-[4]-ARENE
Compound Number 2I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H98N2O6S2
InChI InChI=1S/C66H98N2O6S2/c1-41(2)67(42(3)4)57(69)39-73-61-49-27-45-31-53(63(9,10)11)33-47(59(45)71-23-25-75-21)29-51-37-56(66(18,19)20)38-52(62(51)74-40-58(70)68(43(5)6)44(7)8)30-48-34-54(64(12,13)14)32-46(60(48)72-24-26-76-22)28-50(61)36-55(35-49)65(15,16)17/h31-38,41-44H,23-30,39-40H2,1-22H3
InChIKey YBBHZWRMIIMLBY-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 1079.634 g/mol
Solvent CDCl3
Source File Reference UWSI7348