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1,4-BIS-(5-(5-BENZYLOXYCARBONYL-2,4-DIMETHYLPYRROL-3-YL)-PENTYL)-2,3,5,6-TETRAMETHYLBENZENE
SpectraBase Compound ID 4R4MFI92mP0
InChI InChI=1S/C48H60N2O4/c1-31-32(2)42(26-18-12-20-28-44-36(6)46(50-38(44)8)48(52)54-30-40-23-15-10-16-24-40)34(4)33(3)41(31)25-17-11-19-27-43-35(5)45(49-37(43)7)47(51)53-29-39-21-13-9-14-22-39/h9-10,13-16,21-24,49-50H,11-12,17-20,25-30H2,1-8H3
InChIKey NULHETCASGOGHH-UHFFFAOYSA-N
Mol Weight 729.0 g/mol
Molecular Formula C48H60N2O4
Exact Mass 728.455308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KEnyTcwGTOi
Name 1,4-BIS-(5-(5-BENZYLOXYCARBONYL-2,4-DIMETHYLPYRROL-3-YL)-PENTYL)-2,3,5,6-TETRAMETHYLBENZENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H60N2O4
InChI InChI=1S/C48H60N2O4/c1-31-32(2)42(26-18-12-20-28-44-36(6)46(50-38(44)8)48(52)54-30-40-23-15-10-16-24-40)34(4)33(3)41(31)25-17-11-19-27-43-35(5)45(49-37(43)7)47(51)53-29-39-21-13-9-14-22-39/h9-10,13-16,21-24,49-50H,11-12,17-20,25-30H2,1-8H3
InChIKey NULHETCASGOGHH-UHFFFAOYSA-N
Literature Reference Author T.P.WIJESEKERA,S.DAVID,J.B.PAINE,B.R.JAMES,D.DOLPHIN
Literature Reference Citation CAN.J.CHEM.,66,2063(1988)
Literature Reference DOI 10.1139/v88-331
Molecular Weight 729.015 g/mol
Solvent CDCl3:CF3COOH=9:1
Source File Reference UWED2455