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1,2-BIS-[ORTHO-(N-METHYLAMINO-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-METHYLAMINO-3-PARA-TOLYL-5-PHENYL-4H-1,2,4-TRIAZOLE-4-YL)-PHENOXY]-ETHANE
SpectraBase Compound ID bmtpkhaJm9
InChI InChI=1S/C46H42N8O2/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/h3-28,47-48H,29-32H2,1-2H3
InChIKey RZWQIASONJBVSU-UHFFFAOYSA-N
Mol Weight 738.9 g/mol
Molecular Formula C46H42N8O2
Exact Mass 738.343073 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qzgs2QEOkr
Name 1,2-BIS-[ORTHO-(N-METHYLAMINO-3-PARA-TOLYL-5-PHENYL-4H-1,2,4-TRIAZOLE-4-YL)-PHENOXY]-ETHANE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H42N8O2
InChI InChI=1S/C46H42N8O2/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/h3-28,47-48H,29-32H2,1-2H3
InChIKey RZWQIASONJBVSU-UHFFFAOYSA-N
Literature Reference Author O.BEKIRCAN,H.BEKTAS
Literature Reference Citation MOLECULES,11,469(2006)
Literature Reference DOI 10.3390/11060469
Molecular Weight 738.892 g/mol
Sample ID 38597
Solvent DMSO-D6