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(Z)-2-[4-[(Z)-1-cyano-2-[2-heptoxy-5-octoxy-4-[(E)-2-phenylvinyl]phenyl]vinyl]phenyl]-3-[2,5-dioctoxy-4-[(E)-2-phenylvinyl]phenyl]acrylonitrile
SpectraBase Compound ID 2572cwCfA73
InChI InChI=1S/C71H90N2O4/c1-5-9-13-17-21-31-46-74-68-54-64(70(76-48-30-20-16-12-8-4)52-62(68)40-38-58-34-26-24-27-35-58)50-66(56-72)60-42-44-61(45-43-60)67(57-73)51-65-55-69(75-47-32-22-18-14-10-6-2)63(41-39-59-36-28-25-29-37-59)53-71(65)77-49-33-23-19-15-11-7-3/h24-29,34-45,50-55H,5-23,30-33,46-49H2,1-4H3/b40-38+,41-39+,66-50+,67-51+
InChIKey MRLXOOLEPWOZEQ-QFMPGTISSA-N
Mol Weight 1035.5 g/mol
Molecular Formula C71H90N2O4
Exact Mass 1034.690059 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FyA5vECpb7G
Name (Z)-2-[4-[(Z)-1-cyano-2-[2-heptoxy-5-octoxy-4-[(E)-2-phenylvinyl]phenyl]vinyl]phenyl]-3-[2,5-dioctoxy-4-[(E)-2-phenylvinyl]phenyl]acrylonitrile
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C71H90N2O4
InChI InChI=1S/C71H90N2O4/c1-5-9-13-17-21-31-46-74-68-54-64(70(76-48-30-20-16-12-8-4)52-62(68)40-38-58-34-26-24-27-35-58)50-66(56-72)60-42-44-61(45-43-60)67(57-73)51-65-55-69(75-47-32-22-18-14-10-6-2)63(41-39-59-36-28-25-29-37-59)53-71(65)77-49-33-23-19-15-11-7-3/h24-29,34-45,50-55H,5-23,30-33,46-49H2,1-4H3/b40-38+,41-39+,66-50+,67-51+
InChIKey MRLXOOLEPWOZEQ-QFMPGTISSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 1035.507 g/mol
Source File Reference MHKO20256