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CYCLO-TRIS-(4-METHYL-2,6-PYRIDYLFORMAMIDINE)
SpectraBase Compound ID HaF5DbcBqDV
InChI InChI=1S/C21H21N9.C2H6OS/c1-13-4-16-22-10-24-18-6-14(2)8-20(29-18)26-12-27-21-9-15(3)7-19(30-21)25-11-23-17(5-13)28-16;1-4(2)3/h4-12H,1-3H3,(H3,22,23,24,25,26,27,28,29,30);1-2H3
InChIKey REMQKRIURKATID-UHFFFAOYSA-N
Mol Weight 477.59 g/mol
Molecular Formula C23H27N9OS
Exact Mass 477.205928 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CC253SUvrwv
Name CYCLO-TRIS-(4-METHYL-2,6-PYRIDYLFORMAMIDINE)
Compound Number IB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H27N9OS
InChI InChI=1S/C21H21N9.C2H6OS/c1-13-4-16-22-10-24-18-6-14(2)8-20(29-18)26-12-27-21-9-15(3)7-19(30-21)25-11-23-17(5-13)28-16;1-4(2)3/h4-12H,1-3H3,(H3,22,23,24,25,26,27,28,29,30);1-2H3
InChIKey REMQKRIURKATID-UHFFFAOYSA-N
Literature Reference Author H.KOMBER,H.LIMBACH,F.BOEHME,C.KUNERT
Literature Reference Citation J.AM.CHEM.SOC.,124,11955(2002)
Literature Reference DOI 10.1021/ja0202762
Molecular Weight 477.587 g/mol
Sample ID 47051
Solvent DMSO-D6