2'-Deoxyguanosine(961-07-9) MS
Product Name2'-Deoxyguanosine
CAS961-07-9
Molecular FormulaC10H13N5O4
Molecular Weight267.24
InChIInChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
InChIKey YKBGVTZYEHREMT-KVQBGUIXSA-N
SmilesOC[C@H]1O[C@@H](N2C3=C(C(NC(=N3)N)=O)N=C2)C[C@@H]1O
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MassMS-NW-2019 2'-deoxyguanosine C10H13N5O4 (H2O) (Mass of molecular ion: 267)
Source Temperature: 230 °C Sample Temperature: 290 °C Direct, 75 eV
12.0 1.3 13.0 1.0 14.0 1.2 15.0 2.1 16.0 2.0 17.0 10.1 18.0 46.2 26.0 6.0 27.0 34.8 28.0 29.3 29.0 7.6 30.0 1.5 31.0 3.6 37.0 1.3 38.0 4.5 39.0 12.7 40.0 3.9 41.0 11.7 42.0 13.3 43.0 40.0 44.0 13.1 45.0 2.4 50.0 2.2 51.0 4.0 52.0 8.5 53.0 18.9 54.0 22.4 55.0 8.0 56.0 3.1 57.0 3.7 60.0 1.2 65.0 1.8 66.0 4.5 67.0 2.9 68.0 8.1 69.0 11.3 70.0 5.0 71.0 1.9 73.0 2.9 75.5 1.2 77.0 1.1 78.0 1.3 79.0 3.9 80.0 5.0 81.0 23.2 82.0 6.4 83.0 3.6 84.0 1.5 85.0 1.1 91.0 1.4 92.0 1.3 93.0 1.7 94.0 1.2 95.0 2.1 96.0 2.9 97.0 5.3 98.0 8.6 99.0 1.4 105.0 1.1 106.0 3.5 107.0 1.6 108.0 10.7 109.0 20.0 110.0 18.9 111.0 1.5 112.0 1.6 117.0 2.5 122.0 1.0 123.0 1.4 124.0 1.3 131.0 1.0 133.0 1.4 134.0 11.3 135.0 7.0 136.0 1.0 151.0 100.0 152.0 8.1 187.0 1.0 201.0 1.3 212.0 1.1 213.0 5.8 214.0 1.0 215.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H13 N5 O4 0.037 g : 0.5 ml DMSO-d6 2'-deoxyguanosine 
Assign. Shift(ppm)
A 10.7 B 7.953 C 6.50 D 6.143 E 5.31 F 4.99 G 4.362 J 3.834 K 3.55 L *1 2.53 M *1 2.223 THE SIGNAL L OVERLAPPED BY THE SOLVENT SIGNAL AT 2.50 PPM.
Hz ppm Int.4280.55 10.711 283 3184.20 7.968 30 3178.71 7.954 1000 2598.42 6.502 370 2462.31 6.162 173 2456.21 6.146 227 2454.53 6.142 223 2448.43 6.127 174 2122.04 5.310 399 2118.07 5.300 402 2000.43 5.006 168 1994.93 4.992 375 1989.29 4.978 170 1750.64 4.381 56 1747.59 4.373 124 1744.84 4.366 164 1741.79 4.359 164 1739.04 4.352 124 1735.99 4.344 57 1538.09 3.849 95 1533.66 3.838 234 1531.07 3.832 230 1529.24 3.827 141 1526.49 3.820 107 1442.26 3.609 52 1437.23 3.597 85 1430.51 3.580 150 1425.48 3.567 213 1420.44 3.555 138 1418.15 3.549 145 1412.81 3.536 193 1407.93 3.523 139 1401.06 3.506 79 1396.18 3.494 58 1024.78 2.565 78 1018.98 2.550 98 1017.00 2.545 96 1011.05 2.530 360 1009.06 2.525 330 1007.23 2.521 264 1005.86 2.517 206 1003.88 2.512 138 998.08 2.498 97 899.05 2.250 99 896.15 2.243 106 893.10 2.235 116 890.05 2.228 119 886.08 2.218 101 883.03 2.210 98 879.97 2.202 90 877.08 2.195 84
in D2O
in CD3SOCD3
KBr disc
nujol mull
