6-Methoxypurine(1074-89-1) MS
Product Name6-Methoxypurine
CAS1074-89-1
Molecular FormulaC6H6N4O
Molecular Weight150.14
InChIInChI=1S/C6H6N4O/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)
InChIKey GOILPRCCOREWQE-UHFFFAOYSA-N
SmilesN1C2C(=NC=NC=2OC)NC=1
-
MassMS-NW-8167 6-methoxypurine C6H6N4O (Mass of molecular ion: 150)
Source Temperature: 210 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 5.4 17.0 1.0 18.0 5.9 27.0 3.6 28.0 23.3 29.0 1.8 38.0 5.0 39.0 4.3 40.0 2.2 41.0 1.5 42.0 7.4 43.0 2.8 52.0 1.7 53.0 12.7 54.0 4.9 55.0 2.0 58.0 1.0 64.0 1.7 65.0 7.1 66.0 28.2 67.0 4.9 68.0 2.5 79.0 1.4 80.0 3.9 81.0 3.9 92.0 4.6 93.0 56.1 94.0 9.6 95.0 1.6 119.0 5.3 120.0 43.3 121.0 40.7 122.0 3.9 123.0 1.2 149.0 56.0 150.0 100.0 151.0 8.8
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C6 H6 N4 O 0.029 g : 0.5 ml DMSO-d6 6-methoxypurine 
Assign. Shift(ppm)
A *1 8.536 B *1 8.421 C 4.123
Hz ppm Int.3411.68 8.537 362 3365.52 8.422 283 1647.93 4.124 1000
in DMSO-d6
KBr disc
nujol mull
