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N,N-DIBENZYL-1-[1-[(4-METHYL-2-PHENYL-4,5-DIHYDROOXAZOL-4-YL)-METHYL]-1H-1,2,3-TRIAZOL-4-YL]-METHANAMINE;1,4-ISOMER;MAJORITY

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N,N-DIBENZYL-1-[1-[(4-METHYL-2-PHENYL-4,5-DIHYDROOXAZOL-4-YL)-METHYL]-1H-1,2,3-TRIAZOL-4-YL]-METHANAMINE;1,4-ISOMER;MAJORITY
SpectraBase Compound ID 1lAXfiUsEMV
InChI InChI=1S/C28H29N5O/c1-28(22-34-27(29-28)25-15-9-4-10-16-25)21-33-20-26(30-31-33)19-32(17-23-11-5-2-6-12-23)18-24-13-7-3-8-14-24/h2-16,20H,17-19,21-22H2,1H3
InChIKey LRYPGSSHAPTJDH-UHFFFAOYSA-N
Mol Weight 451.57 g/mol
Molecular Formula C28H29N5O
Exact Mass 451.237211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gNdyxVcpfO
Name N,N-DIBENZYL-1-[1-[(4-METHYL-2-PHENYL-4,5-DIHYDROOXAZOL-4-YL)-METHYL]-1H-1,2,3-TRIAZOL-4-YL]-METHANAMINE;1,4-ISOMER;MAJORITY
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H29N5O
InChI InChI=1S/C28H29N5O/c1-28(22-34-27(29-28)25-15-9-4-10-16-25)21-33-20-26(30-31-33)19-32(17-23-11-5-2-6-12-23)18-24-13-7-3-8-14-24/h2-16,20H,17-19,21-22H2,1H3
InChIKey LRYPGSSHAPTJDH-UHFFFAOYSA-N
Literature Reference Author A.YOUNAS,E.H.ABDELILAH,A.ANOUAR
Literature Reference Citation MOLBANK,M819(2014)
Molecular Weight 451.571 g/mol
Solvent CDCl3
Source File Reference UWLU83017