6-Chloropurine ribonucleoside(2004-06-0) MS
Product Name6-Chloropurine ribonucleoside
CAS2004-06-0
Molecular FormulaC10H11ClN4O4
Molecular Weight286.67
InChIInChI=1S/C10H11ClN4O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2/t4-,6-,7-,10?/m1/s1
InChIKey XHRJGHCQQPETRH-VTHZCTBJSA-N
SmilesN1C2C(=NC=NC=2Cl)N(C2O[C@H](CO)[C@@H](O)[C@H]2O)C=1
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MassMS2014-05025CW 6-chloropurine riboside C10H11ClN4O4 (Mass of molecular ion: 286)
Source Temperature: 255 °C Sample Temperature: 65 °C Direct, 70 eV
15.0 1.5 17.0 1.6 18.0 7.1 19.0 1.8 27.0 4.2 28.0 25.9 29.0 5.0 31.0 4.5 35.0 1.5 36.0 5.9 38.0 16.0 39.0 9.6 40.0 3.4 41.0 1.9 42.0 1.5 43.0 4.0 44.0 1.3 45.0 2.7 47.0 4.5 48.0 1.3 49.0 1.4 50.0 1.2 51.0 3.5 52.0 1.5 53.0 7.6 54.0 1.0 55.0 2.6 56.0 1.0 57.0 6.9 60.0 2.0 61.0 1.7 64.0 6.3 65.0 19.2 66.0 5.0 67.0 5.5 68.0 1.2 69.0 1.5 71.0 1.7 73.0 6.6 74.0 4.5 75.0 2.6 76.0 1.7 77.0 2.8 85.0 1.8 86.0 6.8 87.0 1.4 88.0 2.1 91.0 2.5 92.0 25.0 93.0 1.8 99.0 3.7 100.0 8.3 101.0 2.4 102.0 2.8 119.0 80.9 120.0 5.8 126.0 2.6 127.0 1.3 128.0 1.1 133.0 1.1 154.0 100.0 155.0 17.9 156.0 32.3 157.0 5.7 167.0 1.5 183.0 8.6 185.0 2.8 197.0 2.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H11 Cl N4 O4 0.023 g : 0.5 ml DMSO-d6 6-chloropurine riboside 
Assign. Shift(ppm)
A 8.971 B 8.834 C 6.064 D 4.607 E 4.215 F 4.009 G *1 3.722 J *1 3.609 ASSIGNED BY C-H COSY
Hz ppm Int.3585.33 8.972 772 3530.76 8.835 1000 2426.27 6.071 295 2421.02 6.058 299 1846.56 4.621 134 1841.55 4.608 242 1836.43 4.596 139 1689.09 4.227 134 1684.69 4.216 198 1680.18 4.205 138 1608.15 4.024 64 1604.25 4.015 190 1600.22 4.005 188 1596.31 3.995 64 1496.95 3.746 102 1492.92 3.736 100 1484.86 3.716 161 1480.96 3.706 145 1449.46 3.627 149 1445.43 3.617 152 1437.38 3.597 109 1433.47 3.587 98
in DMSO-d6
KBr disc
nujol mull
