6-Methylpurine(2004-03-7) IR2
Product Name6-Methylpurine
CAS2004-03-7
Molecular FormulaC6H6N4
Molecular Weight134.14
InChIInChI=1S/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10)
InChIKey SYMHUEFSSMBHJA-UHFFFAOYSA-N
SmilesN1C2C(=NC=NC=2C)NC=1
400 MHz in DMSO-d6
90 MHz in D2O
-
1H NMR 399.65 MHz C6 H6 N4 0.040 g : 0.5 ml DMSO-d6 6-methylpurine 
Assign. Shift(ppm)
A 8.798 B 8.595 C 2.760
Hz ppm Int.
3516.36 8.799 331 3435.06 8.596 335 1103.03 2.760 1000
-
1H NMR 89.56 MHz C6 H6 N4 0.034 g : 0.5 ml D2O 6-methylpurine Assign. Shift(ppm)
A 8.391 B 8.295 D 2.521 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.
751.56 8.392 363 749.06 8.364 26 747.13 8.343 27 743.00 8.297 414 225.81 2.522 1000
in DMSO-d6
in D2O
KBr disc
nujol mull
