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4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)vinyl]-2,5-dihexoxy-phenyl]vinyl]-6-methyl-s-triazin-2-yl]vinyl]-2,5-dihexoxy-phenyl]vinyl]benzonitrile
SpectraBase Compound ID 8jSj8QX6Hoq
InChI InChI=1S/C62H75N5O4/c1-6-10-14-18-38-68-57-44-55(59(70-40-20-16-12-8-3)42-53(57)32-30-49-22-26-51(46-63)27-23-49)34-36-61-65-48(5)66-62(67-61)37-35-56-45-58(69-39-19-15-11-7-2)54(43-60(56)71-41-21-17-13-9-4)33-31-50-24-28-52(47-64)29-25-50/h22-37,42-45H,6-21,38-41H2,1-5H3/b32-30+,33-31+,36-34+,37-35+
InChIKey WKYDJDPBSQANNI-PRKTVKFGSA-N
Mol Weight 954.3 g/mol
Molecular Formula C62H75N5O4
Exact Mass 953.581906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JVDxSNeX6sk
Name 4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)vinyl]-2,5-dihexoxy-phenyl]vinyl]-6-methyl-s-triazin-2-yl]vinyl]-2,5-dihexoxy-phenyl]vinyl]benzonitrile
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H75N5O4
InChI InChI=1S/C62H75N5O4/c1-6-10-14-18-38-68-57-44-55(59(70-40-20-16-12-8-3)42-53(57)32-30-49-22-26-51(46-63)27-23-49)34-36-61-65-48(5)66-62(67-61)37-35-56-45-58(69-39-19-15-11-7-2)54(43-60(56)71-41-21-17-13-9-4)33-31-50-24-28-52(47-64)29-25-50/h22-37,42-45H,6-21,38-41H2,1-5H3/b32-30+,33-31+,36-34+,37-35+
InChIKey WKYDJDPBSQANNI-PRKTVKFGSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 954.309 g/mol
Source File Reference MHKO20373