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3-[2-(tert-butoxycarbonylamino)ethoxy]-5-[2-[[3-[12-[(4-nitrophenyl)amino]dodecoxy]-5-[2-[(4-nitrophenyl)amino]ethoxy]benzoyl]amino]ethoxy]benzoic acid methyl ester

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3-[2-(tert-butoxycarbonylamino)ethoxy]-5-[2-[[3-[12-[(4-nitrophenyl)amino]dodecoxy]-5-[2-[(4-nitrophenyl)amino]ethoxy]benzoyl]amino]ethoxy]benzoic acid methyl ester
SpectraBase Compound ID LCUiMUmjimT
InChI InChI=1S/C50H66N6O13/c1-50(2,3)69-49(59)54-26-30-68-46-34-38(48(58)64-4)33-45(36-46)67-29-25-53-47(57)37-31-43(35-44(32-37)66-28-24-52-40-17-21-42(22-18-40)56(62)63)65-27-14-12-10-8-6-5-7-9-11-13-23-51-39-15-19-41(20-16-39)55(60)61/h15-22,31-36,51-52H,5-14,23-30H2,1-4H3,(H,53,57)(H,54,59)
InChIKey QEIAOJHEWFCRDR-UHFFFAOYSA-N
Mol Weight 959.1 g/mol
Molecular Formula C50H66N6O13
Exact Mass 958.468786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cb12sTolCFd
Name 3-[2-(tert-butoxycarbonylamino)ethoxy]-5-[2-[[3-[12-[(4-nitrophenyl)amino]dodecoxy]-5-[2-[(4-nitrophenyl)amino]ethoxy]benzoyl]amino]ethoxy]benzoic acid methyl ester
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H66N6O13
InChI InChI=1S/C50H66N6O13/c1-50(2,3)69-49(59)54-26-30-68-46-34-38(48(58)64-4)33-45(36-46)67-29-25-53-47(57)37-31-43(35-44(32-37)66-28-24-52-40-17-21-42(22-18-40)56(62)63)65-27-14-12-10-8-6-5-7-9-11-13-23-51-39-15-19-41(20-16-39)55(60)61/h15-22,31-36,51-52H,5-14,23-30H2,1-4H3,(H,53,57)(H,54,59)
InChIKey QEIAOJHEWFCRDR-UHFFFAOYSA-N
Literature Reference Author A.J.BROUWER,R.M.J.LISKAMP
Literature Reference Citation EUR.J.ORG.CHEM.,487(2005)
Molecular Weight 959.106 g/mol
Sample ID 42285
Solvent CDCl3