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[3,5-(2,4,6-T-BU3-C6H2)-C6H3-NH-CH2-CH2]2-N-CH2-CH2-NH2
SpectraBase Compound ID 9sw4tbpgE9b
InChI InChI=1S/C90H138N4/c1-79(2,3)61-49-67(83(13,14)15)75(68(50-61)84(16,17)18)57-43-58(76-69(85(19,20)21)51-62(80(4,5)6)52-70(76)86(22,23)24)46-65(45-57)92-38-41-94(40-37-91)42-39-93-66-47-59(77-71(87(25,26)27)53-63(81(7,8)9)54-72(77)88(28,29)30)44-60(48-66)78-73(89(31,32)33)55-64(82(10,11)12)56-74(78)90(34,35)36/h43-56,92-93H,37-42,91H2,1-36H3
InChIKey DEKJPZDKZRZXDN-UHFFFAOYSA-N
Mol Weight 1276.1 g/mol
Molecular Formula C90H138N4
Exact Mass 1275.09215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9skymjavi2K
Name [3,5-(2,4,6-T-BU3-C6H2)-C6H3-NH-CH2-CH2]2-N-CH2-CH2-NH2
Compound Number 1A'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C90H138N4
InChI InChI=1S/C90H138N4/c1-79(2,3)61-49-67(83(13,14)15)75(68(50-61)84(16,17)18)57-43-58(76-69(85(19,20)21)51-62(80(4,5)6)52-70(76)86(22,23)24)46-65(45-57)92-38-41-94(40-37-91)42-39-93-66-47-59(77-71(87(25,26)27)53-63(81(7,8)9)54-72(77)88(28,29)30)44-60(48-66)78-73(89(31,32)33)55-64(82(10,11)12)56-74(78)90(34,35)36/h43-56,92-93H,37-42,91H2,1-36H3
InChIKey DEKJPZDKZRZXDN-UHFFFAOYSA-N
Literature Reference Author V.RITLENG,D.V.YANDULOV,W.W.WEARE,R.R.SCHROCK,A.S.HOCK,W.M.DA VIS
Literature Reference Citation J.AM.CHEM.SOC.,126,6150(2004)
Literature Reference DOI 10.1021/ja0306415
Molecular Weight 1276.113 g/mol
Sample ID 36985
Solvent CDCl3