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3,5-BIS-[3-DODECYLOXY-5-[2-[2-[2-[2-[METHYL-[4-(4-NITROPHENYLAZO)-PHENYL]-AMINO]-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZYLOXY]-PHENYL]-METHANOL
SpectraBase Compound ID EOU3t25ztRj
InChI InChI=1S/C87H120N8O17/c1-5-7-9-11-13-15-17-19-21-25-43-107-80-61-72(63-82(65-80)109-57-55-105-53-51-103-49-47-101-45-41-92(3)77-35-29-74(30-36-77)88-89-75-31-37-78(38-32-75)94(97)98)69-111-84-59-71(68-96)60-85(67-84)112-70-73-62-81(108-44-26-22-20-18-16-14-12-10-8-6-2)66-83(64-73)110-58-56-106-54-52-104-50-48-102-46-42-93(4)87-28-24-23-27-86(87)91-90-76-33-39-79(40-34-76)95(99)100/h23-24,27-40,59-67,96H,5-22,25-26,41-58,68-70H2,1-4H3/b89-88+,91-90+
InChIKey BBNUGVODFKIMQO-IQVQWXOISA-N
Mol Weight 1550.0 g/mol
Molecular Formula C87H120N8O17
Exact Mass 1548.877144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FT5FfXjbZRk
Name 3,5-BIS-[3-DODECYLOXY-5-[2-[2-[2-[2-[METHYL-[4-(4-NITROPHENYLAZO)-PHENYL]-AMINO]-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZYLOXY]-PHENYL]-METHANOL
Compound Number 9G2OH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C87H120N8O17
InChI InChI=1S/C87H120N8O17/c1-5-7-9-11-13-15-17-19-21-25-43-107-80-61-72(63-82(65-80)109-57-55-105-53-51-103-49-47-101-45-41-92(3)77-35-29-74(30-36-77)88-89-75-31-37-78(38-32-75)94(97)98)69-111-84-59-71(68-96)60-85(67-84)112-70-73-62-81(108-44-26-22-20-18-16-14-12-10-8-6-2)66-83(64-73)110-58-56-106-54-52-104-50-48-102-46-42-93(4)87-28-24-23-27-86(87)91-90-76-33-39-79(40-34-76)95(99)100/h23-24,27-40,59-67,96H,5-22,25-26,41-58,68-70H2,1-4H3/b89-88+,91-90+
InChIKey BBNUGVODFKIMQO-IQVQWXOISA-N
Literature Reference Author J.ORTIZ-PALACIOS,E.RODRIGUEZ-ALBA,M.AVELAR,A.MARTINEZ,M.D.P. CARREON-CASTRO,E.
Literature Reference Citation MOLECULES,18,1502(2013)
Literature Reference DOI 10.3390/molecules18021502
Molecular Weight 1549.953 g/mol
Solvent CDCl3
Source File Reference UWBT9117