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

View entire compound with spectra: 1 NMR

1,3-BIS-[ORTHO-(N-METHYLAMINO-3-PARA-CHLOROPHENYL-5-PHENYL-4H-1,2,4-TRIAZOLE-4-YL)-PHENOXY]-PROPANE
SpectraBase Compound ID 85YrsWayjjM
InChI InChI=1S/C45H38Cl2N8O2/c46-38-24-20-34(21-25-38)44-52-50-42(32-12-3-1-4-13-32)54(44)48-30-36-16-7-9-18-40(36)56-28-11-29-57-41-19-10-8-17-37(41)31-49-55-43(33-14-5-2-6-15-33)51-53-45(55)35-22-26-39(47)27-23-35/h1-10,12-27,48-49H,11,28-31H2
InChIKey UOPIIFMAWZEROE-UHFFFAOYSA-N
Mol Weight 793.8 g/mol
Molecular Formula C45H38Cl2N8O2
Exact Mass 792.249478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PxSv8LpaWt
Name 1,3-BIS-[ORTHO-(N-METHYLAMINO-3-PARA-CHLOROPHENYL-5-PHENYL-4H-1,2,4-TRIAZOLE-4-YL)-PHENOXY]-PROPANE
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H38Cl2N8O2
InChI InChI=1S/C45H38Cl2N8O2/c46-38-24-20-34(21-25-38)44-52-50-42(32-12-3-1-4-13-32)54(44)48-30-36-16-7-9-18-40(36)56-28-11-29-57-41-19-10-8-17-37(41)31-49-55-43(33-14-5-2-6-15-33)51-53-45(55)35-22-26-39(47)27-23-35/h1-10,12-27,48-49H,11,28-31H2
InChIKey UOPIIFMAWZEROE-UHFFFAOYSA-N
Literature Reference Author O.BEKIRCAN,H.BEKTAS
Literature Reference Citation MOLECULES,11,469(2006)
Literature Reference DOI 10.3390/11060469
Molecular Weight 793.755 g/mol
Sample ID 38600
Solvent DMSO-D6