6-Hydroxypurine(68-94-0) IR2
Product Name6-Hydroxypurine
CAS68-94-0
Molecular FormulaC5H4N4O
Molecular Weight136.11
InChIInChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKey FDGQSTZJBFJUBT-UHFFFAOYSA-N
SmilesN1C2=C(N=CNC2=O)NC=1
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MassMS-NW-8160 hypoxanthine C5H4N4O (Mass of molecular ion: 136)
Source Temperature: 200 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 2.5 27.0 3.7 28.0 31.4 29.0 6.4 38.0 2.7 39.0 3.0 43.0 2.1 53.0 8.5 54.0 29.9 55.0 3.0 65.0 1.0 66.0 2.8 67.0 1.1 68.0 1.2 70.0 1.4 80.0 2.6 81.0 10.3 82.0 4.5 108.0 5.5 109.0 5.8 135.0 5.4 136.0 100.0 137.0 7.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H4 N4 O saturated in DMSO-d6 hypoxanthine 
Assign. Shift(ppm)
A *1 12.4 B *1 12.2 C 8.14 D 7.991
Hz ppm Int.5343.60 13.371 48 4894.00 12.246 247 3251.42 8.136 309 3194.36 7.993 1000
in DMSO-d6
KBr disc
nujol mull
