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

View entire compound with spectra: 1 NMR

1,3-BIS-[ORTHO-(N-METHYLNAMINO-3-PARA-TOLYL-5-PHENYL-4H-1,2,4-TRIAZOLE-4-YL)-PHENOXY]-PROPANE
SpectraBase Compound ID 3PTKyfDSqER
InChI InChI=1S/C47H44N8O2/c1-34-22-26-38(27-23-34)46-52-50-44(36-14-5-3-6-15-36)54(46)48-32-40-18-9-11-20-42(40)56-30-13-31-57-43-21-12-10-19-41(43)33-49-55-45(37-16-7-4-8-17-37)51-53-47(55)39-28-24-35(2)25-29-39/h3-12,14-29,48-49H,13,30-33H2,1-2H3
InChIKey KQOBQMBYIJVGAB-UHFFFAOYSA-N
Mol Weight 752.9 g/mol
Molecular Formula C47H44N8O2
Exact Mass 752.358723 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HvUshXtX1p
Name 1,3-BIS-[ORTHO-(N-METHYLNAMINO-3-PARA-TOLYL-5-PHENYL-4H-1,2,4-TRIAZOLE-4-YL)-PHENOXY]-PROPANE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H44N8O2
InChI InChI=1S/C47H44N8O2/c1-34-22-26-38(27-23-34)46-52-50-44(36-14-5-3-6-15-36)54(46)48-32-40-18-9-11-20-42(40)56-30-13-31-57-43-21-12-10-19-41(43)33-49-55-45(37-16-7-4-8-17-37)51-53-47(55)39-28-24-35(2)25-29-39/h3-12,14-29,48-49H,13,30-33H2,1-2H3
InChIKey KQOBQMBYIJVGAB-UHFFFAOYSA-N
Literature Reference Author O.BEKIRCAN,H.BEKTAS
Literature Reference Citation MOLECULES,11,469(2006)
Literature Reference DOI 10.3390/11060469
Molecular Weight 752.919 g/mol
Sample ID 38598
Solvent DMSO-D6