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1,2-BIS-[ORTHO-(N-METHYLIDENAMINO-3-PARA-TOLYL-5-PHENYL-4H-1,2,4-TRIAZOLE-4-YL)-PHENOXY]-ETHANE

View entire compound with spectra: 1 NMR

1,2-BIS-[ORTHO-(N-METHYLIDENAMINO-3-PARA-TOLYL-5-PHENYL-4H-1,2,4-TRIAZOLE-4-YL)-PHENOXY]-ETHANE
SpectraBase Compound ID 2vLOO349dGT
InChI InChI=1S/C46H38N8O2/c1-33-21-25-37(26-22-33)45-51-49-43(35-13-5-3-6-14-35)53(45)47-31-39-17-9-11-19-41(39)55-29-30-56-42-20-12-10-18-40(42)32-48-54-44(36-15-7-4-8-16-36)50-52-46(54)38-27-23-34(2)24-28-38/h3-28,31-32H,29-30H2,1-2H3/b47-31+,48-32+
InChIKey CXCFFQUBRDOFRX-HFGRWUSXSA-N
Mol Weight 734.9 g/mol
Molecular Formula C46H38N8O2
Exact Mass 734.311772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5aOI5RA7oY5
Name 1,2-BIS-[ORTHO-(N-METHYLIDENAMINO-3-PARA-TOLYL-5-PHENYL-4H-1,2,4-TRIAZOLE-4-YL)-PHENOXY]-ETHANE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H38N8O2
InChI InChI=1S/C46H38N8O2/c1-33-21-25-37(26-22-33)45-51-49-43(35-13-5-3-6-14-35)53(45)47-31-39-17-9-11-19-41(39)55-29-30-56-42-20-12-10-18-40(42)32-48-54-44(36-15-7-4-8-16-36)50-52-46(54)38-27-23-34(2)24-28-38/h3-28,31-32H,29-30H2,1-2H3/b47-31+,48-32+
InChIKey CXCFFQUBRDOFRX-HFGRWUSXSA-N
Literature Reference Author O.BEKIRCAN,H.BEKTAS
Literature Reference Citation MOLECULES,11,469(2006)
Literature Reference DOI 10.3390/11060469
Molecular Weight 734.860 g/mol
Sample ID 38591
Solvent DMSO-D6