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MassMS-NW-2016 2'-deoxy-5-iodouridine C9H11IN2O5 (Mass of molecular ion: 354)
Source Temperature: 220 °C Sample Temperature: 260 °C Direct, 75 eV
24.0 1.0 25.0 2.4 26.0 8.3 27.0 25.4 28.0 43.7 29.0 16.6 30.0 4.0 31.0 5.8 37.0 2.5 38.0 13.0 39.0 29.2 40.0 39.4 41.0 17.7 42.0 27.3 43.0 30.1 44.0 19.9 45.0 3.7 47.0 1.3 49.0 1.0 50.0 4.8 51.0 11.3 52.0 7.3 53.0 12.6 54.0 3.6 55.0 11.3 56.0 2.6 57.0 4.3 63.5 5.5 64.0 1.2 65.0 12.0 66.0 6.7 67.0 15.4 68.0 15.6 69.0 29.6 70.0 6.9 71.0 2.7 73.0 4.4 80.0 3.1 81.0 27.4 82.0 3.6 83.0 1.7 85.0 1.4 91.0 1.2 93.0 1.3 94.0 7.4 95.0 2.0 96.0 2.1 97.0 5.6 98.0 10.6 99.0 2.6 111.0 1.2 112.0 32.0 113.0 2.0 117.0 3.5 127.0 60.9 128.0 6.6 139.0 3.9 140.0 7.0 142.0 1.4 152.0 16.6 165.0 1.8 166.0 3.4 167.0 2.0 168.0 28.4 169.0 1.1 193.0 2.0 194.0 1.1 195.0 57.1 196.0 3.1 220.0 17.5 221.0 1.4 238.0 100.0 239.0 5.4 254.0 34.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H11 I N2 O5 0.032 g : 0.5 ml DMSO-d6 2'-deoxy-5-iodouridine 
Assign. Shift(ppm)
A 11.68 B 8.409 C 6.101 D 5.28 E 5.18 F 4.244 G 3.799 J 3.627 K 3.574 L 2.13 assigned by H-H COSY and addition of D2O. J(C,L)=6.4 Hz J(D,F)=3.3 Hz J(E,J)=J(E,K)=3.3 Hz J(F,G)=3.1 Hz J(J,K)=-11.7 Hz
Hz ppm Int.4666.90 11.678 59 3360.92 8.410 1000 2444.91 6.118 141 2438.50 6.102 316 2431.90 6.086 147 2109.89 5.280 108 2108.98 5.278 106 2106.96 5.273 110 2068.68 5.177 124 2065.20 5.168 76 2064.65 5.167 75 2064.29 5.166 75 1696.12 4.245 118 1523.58 3.813 77 1520.28 3.805 236 1517.17 3.797 245 1513.87 3.788 86 1461.30 3.657 34 1458.01 3.649 53 1454.34 3.640 39 1449.58 3.628 86 1449.21 3.627 86 1446.28 3.619 128 1435.29 3.592 84 1432.36 3.585 128 1429.06 3.576 82 1423.75 3.563 43 1420.46 3.555 55 1417.53 3.547 33 856.85 2.145 149 854.47 2.139 154 850.08 2.128 295 848.06 2.123 186 843.85 2.112 195
in DMSO-d6
KBr disc
nujol mull
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