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1,3-BIS-[ORTHO-(N-METHYLIDENAMINO-3,5-DIPHENYL-4H-1,2,4-TRIAZOLE-4-YL)-PHENOXY]-PROPANE

View entire compound with spectra: 1 NMR

1,3-BIS-[ORTHO-(N-METHYLIDENAMINO-3,5-DIPHENYL-4H-1,2,4-TRIAZOLE-4-YL)-PHENOXY]-PROPANE
SpectraBase Compound ID oejJor3eGH
InChI InChI=1S/C45H36N8O2/c1-5-18-34(19-6-1)42-48-49-43(35-20-7-2-8-21-35)52(42)46-32-38-26-13-15-28-40(38)54-30-17-31-55-41-29-16-14-27-39(41)33-47-53-44(36-22-9-3-10-23-36)50-51-45(53)37-24-11-4-12-25-37/h1-16,18-29,32-33H,17,30-31H2/b46-32+,47-33+
InChIKey NKXAPIURSRTSLC-IXSCGUPESA-N
Mol Weight 720.8 g/mol
Molecular Formula C45H36N8O2
Exact Mass 720.296122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jn8xJUaQZ6B
Name 1,3-BIS-[ORTHO-(N-METHYLIDENAMINO-3,5-DIPHENYL-4H-1,2,4-TRIAZOLE-4-YL)-PHENOXY]-PROPANE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H36N8O2
InChI InChI=1S/C45H36N8O2/c1-5-18-34(19-6-1)42-48-49-43(35-20-7-2-8-21-35)52(42)46-32-38-26-13-15-28-40(38)54-30-17-31-55-41-29-16-14-27-39(41)33-47-53-44(36-22-9-3-10-23-36)50-51-45(53)37-24-11-4-12-25-37/h1-16,18-29,32-33H,17,30-31H2/b46-32+,47-33+
InChIKey NKXAPIURSRTSLC-IXSCGUPESA-N
Literature Reference Author O.BEKIRCAN,H.BEKTAS
Literature Reference Citation MOLECULES,11,469(2006)
Literature Reference DOI 10.3390/11060469
Molecular Weight 720.833 g/mol
Sample ID 38590
Solvent DMSO-D6