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4-CASCADE:ETHYLENEDIAMINE-[4-N,N,N',N']:(6-OXO-5-OXA-1-AZAOCTYLIDENE):TERT.-BUTYL-PROPYLESTER
SpectraBase Compound ID Ljczm4r3Rir
InChI InChI=1S/C82H148N6O24/c1-75(2,3)105-67(93)33-49-83(50-34-68(94)106-76(4,5)6)41-25-59-101-63(89)29-45-87(46-30-64(90)102-60-26-42-84(51-35-69(95)107-77(7,8)9)52-36-70(96)108-78(10,11)12)57-58-88(47-31-65(91)103-61-27-43-85(53-37-71(97)109-79(13,14)15)54-38-72(98)110-80(16,17)18)48-32-66(92)104-62-28-44-86(55-39-73(99)111-81(19,20)21)56-40-74(100)112-82(22,23)24/h25-62H2,1-24H3
InChIKey VWNMFNGNGCSXDP-UHFFFAOYSA-N
Mol Weight 1602.1 g/mol
Molecular Formula C82H148N6O24
Exact Mass 1601.0545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fQUsw1F2LY
Name 4-CASCADE:ETHYLENEDIAMINE-[4-N,N,N',N']:(6-OXO-5-OXA-1-AZAOCTYLIDENE):TERT.-BUTYL-PROPYLESTER
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C82H148N6O24
InChI InChI=1S/C82H148N6O24/c1-75(2,3)105-67(93)33-49-83(50-34-68(94)106-76(4,5)6)41-25-59-101-63(89)29-45-87(46-30-64(90)102-60-26-42-84(51-35-69(95)107-77(7,8)9)52-36-70(96)108-78(10,11)12)57-58-88(47-31-65(91)103-61-27-43-85(53-37-71(97)109-79(13,14)15)54-38-72(98)110-80(16,17)18)48-32-66(92)104-62-28-44-86(55-39-73(99)111-81(19,20)21)56-40-74(100)112-82(22,23)24/h25-62H2,1-24H3
InChIKey VWNMFNGNGCSXDP-UHFFFAOYSA-N
Literature Reference Author D.SOTO-CASTRO,J.A.CRUZ-MORALES,M.T.R.APAN,P.GUADARRAMA
Literature Reference Citation MOLECULES,15,8082(2010)
Literature Reference DOI 10.3390/molecules15118082
Molecular Weight 1602.103 g/mol
Sample ID 72651
Solvent CD3OD