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6-[(1R,2S)-1,2-BIS-(BENZYLOXY)-3-HYDROXY-PROPYL]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
SpectraBase Compound ID 4vcIPPEuMAb
InChI InChI=1S/C22H22N4O3/c27-13-20(28-14-17-7-3-1-4-8-17)21(29-15-18-9-5-2-6-10-18)19-11-23-22-24-16-25-26(22)12-19/h1-12,16,20-21,27H,13-15H2/t20-,21-/m1/s1
InChIKey QVUZMANRAOGVDL-NHCUHLMSSA-N
Mol Weight 390.44 g/mol
Molecular Formula C22H22N4O3
Exact Mass 390.169191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IX81YTBSda
Name 6-[(1R,2S)-1,2-BIS-(BENZYLOXY)-3-HYDROXY-PROPYL]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N4O3
InChI InChI=1S/C22H22N4O3/c27-13-20(28-14-17-7-3-1-4-8-17)21(29-15-18-9-5-2-6-10-18)19-11-23-22-24-16-25-26(22)12-19/h1-12,16,20-21,27H,13-15H2/t20-,21-/m1/s1
InChIKey QVUZMANRAOGVDL-NHCUHLMSSA-N
Literature Reference Author A.BARI,H.FEIST,M.MICHALIK,K.PESEKE
Literature Reference Citation MOLECULES,10,837(2005)
Literature Reference DOI 10.3390/10080837
Molecular Weight 390.442 g/mol
Sample ID 56986
Solvent CDCl3