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2,4,6-TRIS-(3-H-1,2,3,4-TRIAZAPHOSPHOLO)-3,5-CYANOPYRIDINE;ROTAMER_3
SpectraBase Compound ID 60zUHsakvZJ
InChI InChI=1S/C22H27N12P3/c1-20(2,3)17-26-29-32(35-17)14-12(10-23)15(33-30-27-18(36-33)21(4,5)6)25-16(13(14)11-24)34-31-28-19(37-34)22(7,8)9/h1-9H3
InChIKey FWCUQXKFQYGWDN-UHFFFAOYSA-N
Mol Weight 552.46 g/mol
Molecular Formula C22H27N12P3
Exact Mass 552.16945 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CvBY71aSnyF
Name 2,4,6-TRIS-(3-H-1,2,3,4-TRIAZAPHOSPHOLO)-3,5-CYANOPYRIDINE;ROTAMER_3
Compound Number VII_C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27N12P3
InChI InChI=1S/C22H27N12P3/c1-20(2,3)17-26-29-32(35-17)14-12(10-23)15(33-30-27-18(36-33)21(4,5)6)25-16(13(14)11-24)34-31-28-19(37-34)22(7,8)9/h1-9H3
InChIKey FWCUQXKFQYGWDN-UHFFFAOYSA-N
Literature Reference Author S.V.CHAPYSHEV,U.BERGSTRAESSER,M.REGITZ
Literature Reference Citation CHEM.HET.COMP.,32,59(1996)
Literature Reference DOI 10.1007/bf01169355
Solvent CDCl3
Source File Reference UWMZ13951