XANTHOSINE DIHYDRATE(5968-90-1) IR2
Product NameXANTHOSINE DIHYDRATE
CAS5968-90-1
Molecular FormulaC10H14N4O7
Molecular Weight302.24
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MassMS-IW-5135 xanthosine C10H12N4O6 (H2O) (Mass of molecular ion: 284)
Source Temperature: 190 °C Sample Temperature: 230 °C Direct, 75 eV
15.0 1.8 17.0 1.9 18.0 9.8 19.0 3.2 26.0 1.3 27.0 9.5 28.0 19.7 29.0 9.1 30.0 1.9 31.0 7.9 32.0 1.0 38.0 1.7 39.0 3.7 40.0 2.4 41.0 4.5 42.0 4.9 43.0 15.0 44.0 12.3 45.0 7.4 47.0 2.3 52.0 1.2 53.0 12.4 54.0 60.6 55.0 11.2 56.0 4.8 57.0 33.6 58.0 4.6 59.0 1.1 60.0 11.7 61.0 6.6 67.0 1.1 68.0 3.8 69.0 6.3 70.0 5.2 71.0 10.7 72.0 5.0 73.0 21.2 74.0 3.7 80.0 2.4 81.0 9.3 82.0 4.5 84.0 1.4 85.0 5.4 86.0 5.5 87.0 1.4 96.0 1.3 97.0 3.9 98.0 1.9 103.0 2.1 108.0 1.1 109.0 87.4 110.0 6.0 114.0 1.9 115.0 3.0 133.0 4.3 136.0 1.2 143.0 1.2 152.0 100.0 153.0 8.6 161.0 1.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H12 N4 O6 0.035 g : 0.5 ml DMSO-d6 at 50 C xanthosine 
Assign. Shift(ppm)
A 10.7 B 7.849 C 5.764 D *1 5.37 E *1 5.14 F 4.243 G 4.097 J 4.035 K 3.682
Hz ppm Int.4289.02 10.732 291 3137.09 7.850 1000 2307.35 5.774 408 2300.57 5.757 420 2145.98 5.370 32 2056.04 5.145 155 1701.80 4.259 146 1696.49 4.245 211 1690.08 4.229 165 1639.52 4.103 193 1639.16 4.102 193 1638.06 4.099 191 1635.86 4.094 175 1616.26 4.045 141 1613.88 4.039 342 1611.50 4.033 324 1609.12 4.027 132 1473.21 3.687 713 1470.46 3.680 700 1462.22 3.659 35 1461.49 3.657 35
in DMSO-d6
KBr disc
nujol mull
