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

View entire compound with spectra: 1 NMR

1,2-BIS-[ORTHO-(N-METHYLAMINO-3-PARA-CHLOROPHENYL-5-PHENYL-4H-1,2,4-TRIAZOLE-4-YL)-PHENOXY]-ETHANE
SpectraBase Compound ID BUXtfvADV72
InChI InChI=1S/C44H36Cl2N8O2/c45-37-23-19-33(20-24-37)43-51-49-41(31-11-3-1-4-12-31)53(43)47-29-35-15-7-9-17-39(35)55-27-28-56-40-18-10-8-16-36(40)30-48-54-42(32-13-5-2-6-14-32)50-52-44(54)34-21-25-38(46)26-22-34/h1-26,47-48H,27-30H2
InChIKey RQIGJQJFFPLVFC-UHFFFAOYSA-N
Mol Weight 779.7 g/mol
Molecular Formula C44H36Cl2N8O2
Exact Mass 778.233828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bfpscg7ghDq
Name 1,2-BIS-[ORTHO-(N-METHYLAMINO-3-PARA-CHLOROPHENYL-5-PHENYL-4H-1,2,4-TRIAZOLE-4-YL)-PHENOXY]-ETHANE
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H36Cl2N8O2
InChI InChI=1S/C44H36Cl2N8O2/c45-37-23-19-33(20-24-37)43-51-49-41(31-11-3-1-4-12-31)53(43)47-29-35-15-7-9-17-39(35)55-27-28-56-40-18-10-8-16-36(40)30-48-54-42(32-13-5-2-6-14-32)50-52-44(54)34-21-25-38(46)26-22-34/h1-26,47-48H,27-30H2
InChIKey RQIGJQJFFPLVFC-UHFFFAOYSA-N
Literature Reference Author O.BEKIRCAN,H.BEKTAS
Literature Reference Citation MOLECULES,11,469(2006)
Literature Reference DOI 10.3390/11060469
Molecular Weight 779.728 g/mol
Sample ID 38599
Solvent DMSO-D6