4,6-Dihydroxypyrimidine(1193-24-4) MS
Product Name4,6-Dihydroxypyrimidine
CAS1193-24-4
Molecular FormulaC4H4N2O2
Molecular Weight112.09
InChIInChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)
InChIKey DUFGYCAXVIUXIP-UHFFFAOYSA-N
SmilesC1=NC(O)=CC(=O)N1
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MassMS-NW-8117 4,6-pyrimidinediol C4H4N2O2 (Mass of molecular ion: 112)
Source Temperature: 200 °C Sample Temperature: 190 °C Direct, 75 eV
13.0 1.0 14.0 2.2 17.0 5.1 18.0 6.0 27.0 3.7 28.0 36.9 29.0 10.2 38.0 2.6 39.0 4.5 40.0 6.0 41.0 11.5 42.0 24.3 43.0 9.5 44.0 31.3 45.0 1.7 51.0 1.0 52.0 1.1 55.0 1.2 56.0 5.0 57.0 2.4 59.0 4.1 67.0 6.1 68.0 13.5 69.0 40.3 70.0 1.7 71.0 57.9 72.0 1.6 84.0 31.2 85.0 3.1 112.0 100.0 113.0 5.7
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H4 N2 O2 saturated in DMSO-d6 4,6-pyrimidinediol 
Assign. Shift(ppm)
A 11. B 8.028 C 5.234
Hz ppm Int.4702.43 11.767 32 3208.16 8.028 770 2092.49 5.236 873 2091.76 5.234 1000
in DMSO-d6
KBr disc
nujol mull
