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3-[2-[4-(3-tert-butoxy-3-keto-propyl)-6-[[4-(3-tert-butoxy-3-keto-propyl)-6-[4-(3-tert-butoxy-3-keto-propyl)-6-methyl-2-pyridyl]-2-pyridyl]methoxymethyl]-2-pyridyl]-6-[[4-(3-tert-butoxy-3-keto-propyl)-6-[4-(3-tert-butoxy-3-keto-propyl)-6-methyl-2-pyridyl]
SpectraBase Compound ID HTCs3Q0hIAY
InChI InChI=1S/C78H104N6O14/c1-49-33-51(21-27-67(85)93-73(3,4)5)39-61(79-49)63-41-53(23-29-69(87)95-75(9,10)11)35-57(81-63)45-91-47-59-37-55(25-31-71(89)97-77(15,16)17)43-65(83-59)66-44-56(26-32-72(90)98-78(18,19)20)38-60(84-66)48-92-46-58-36-54(24-30-70(88)96-76(12,13)14)42-64(82-58)62-40-52(34-50(2)80-62)22-28-68(86)94-74(6,7)8/h33-44H,21-32,45-48H2,1-20H3
InChIKey STIYTEUUNAEVSR-UHFFFAOYSA-N
Mol Weight 1349.7 g/mol
Molecular Formula C78H104N6O14
Exact Mass 1348.761052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xsoD5lQC53
Name 3-[2-[4-(3-tert-butoxy-3-keto-propyl)-6-[[4-(3-tert-butoxy-3-keto-propyl)-6-[4-(3-tert-butoxy-3-keto-propyl)-6-methyl-2-pyridyl]-2-pyridyl]methoxymethyl]-2-pyridyl]-6-[[4-(3-tert-butoxy-3-keto-propyl)-6-[4-(3-tert-butoxy-3-keto-propyl)-6-methyl-2-pyridyl]
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C78H104N6O14
InChI InChI=1S/C78H104N6O14/c1-49-33-51(21-27-67(85)93-73(3,4)5)39-61(79-49)63-41-53(23-29-69(87)95-75(9,10)11)35-57(81-63)45-91-47-59-37-55(25-31-71(89)97-77(15,16)17)43-65(83-59)66-44-56(26-32-72(90)98-78(18,19)20)38-60(84-66)48-92-46-58-36-54(24-30-70(88)96-76(12,13)14)42-64(82-58)62-40-52(34-50(2)80-62)22-28-68(86)94-74(6,7)8/h33-44H,21-32,45-48H2,1-20H3
InChIKey STIYTEUUNAEVSR-UHFFFAOYSA-N
Literature Reference Author M.M.HARDING,U.KOERT,J.M.LEHN,A.MARQUIS-RIGAULT,C.PIGUET,J.SI EGEL
Literature Reference Citation HELV.CHIM.ACTA,74,594(1991)
Literature Reference DOI 10.1002/hlca.19910740317
Molecular Weight 1349.716 g/mol
Solvent CDCl3
Source File Reference UWVP6324