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5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[2-(PYRROLIDINYL)-ETHOXY]-CALIX-[4]-ARENE

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5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[2-(PYRROLIDINYL)-ETHOXY]-CALIX-[4]-ARENE
SpectraBase Compound ID BcNvDcXsch9
InChI InChI=1S/C62H90N2O4S2/c1-59(2,3)51-35-43-31-47-39-53(61(7,8)9)41-49(57(47)67-27-29-69-13)33-45-37-52(60(4,5)6)38-46(56(45)66-26-24-64-21-17-18-22-64)34-50-42-54(62(10,11)12)40-48(58(50)68-28-30-70-14)32-44(36-51)55(43)65-25-23-63-19-15-16-20-63/h35-42H,15-34H2,1-14H3
InChIKey IRHYSBGJFMCXQZ-UHFFFAOYSA-N
Mol Weight 991.5 g/mol
Molecular Formula C62H90N2O4S2
Exact Mass 990.634202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7RRPfy8hTL
Name 5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[2-(PYRROLIDINYL)-ETHOXY]-CALIX-[4]-ARENE
Compound Number 2G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H90N2O4S2
InChI InChI=1S/C62H90N2O4S2/c1-59(2,3)51-35-43-31-47-39-53(61(7,8)9)41-49(57(47)67-27-29-69-13)33-45-37-52(60(4,5)6)38-46(56(45)66-26-24-64-21-17-18-22-64)34-50-42-54(62(10,11)12)40-48(58(50)68-28-30-70-14)32-44(36-51)55(43)65-25-23-63-19-15-16-20-63/h35-42H,15-34H2,1-14H3
InChIKey IRHYSBGJFMCXQZ-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 991.528 g/mol
Solvent CDCl3
Source File Reference UWSI7346