2',3'-O-Isopropylideneguanosine(362-76-5) Raman
Product Name2',3'-O-Isopropylideneguanosine
CAS362-76-5
Molecular FormulaC13H17N5O5
Molecular Weight323.3
InChIInChI=1S/C13H17N5O5/c1-13(2)22-7-5(3-19)21-11(8(7)23-13)18-4-15-6-9(18)16-12(14)17-10(6)20/h4-5,7-8,11,19H,3H2,1-2H3,(H3,14,16,17,20)/t5-,7-,8-,11-/m1/s1
InChIKey XKPDAYWPKILAMO-IOSLPCCCSA-N
SmilesOC[C@H]1O[C@@H](N2C3=C(C(NC(=N3)N)=O)N=C2)[C@@H]2OC(O[C@H]12)(C)C
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MassMS2014-05037CW 2',3'-O-isopropylideneguanosine C13H17N5O5 (Mass of molecular ion: 323)
Source Temperature: 250 °C Sample Temperature: 200 °C Direct, 70 eV
18.0 1.0 28.0 1.9 29.0 1.1 31.0 2.5 39.0 1.2 41.0 3.6 43.0 11.8 44.0 1.1 53.0 1.3 54.0 1.9 55.0 2.7 57.0 2.6 59.0 11.3 68.0 2.7 69.0 5.9 71.0 5.1 73.0 3.3 81.0 1.2 85.0 4.2 97.0 1.0 101.0 1.4 107.0 1.0 108.0 2.8 109.0 7.0 110.0 5.7 115.0 1.4 129.0 1.3 134.0 3.8 135.0 4.0 136.0 1.4 150.0 1.3 151.0 100.0 152.0 17.6 153.0 1.3 154.0 1.2 164.0 1.6 173.0 1.3 176.0 1.0 177.0 1.3 178.0 1.0 180.0 3.6 206.0 1.0 218.0 2.6 220.0 2.7 234.0 6.0 235.0 2.3 293.0 2.9 308.0 4.1 323.0 9.0 324.0 1.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C13 H17 N5 O5 0.046 g : 0.5 ml DMSO-d6 2',3'-O-isopropylideneguanosine 
Assign. Shift(ppm)
A 10.7 B 7.944 C 6.55 D 5.944 E 5.205 F 5.08 G 4.982 J 4.133 K 3.55 L *1 1.520 M *1 1.320
Hz ppm Int.4296.17 10.750 197 3175.37 7.946 604 2628.26 6.577 32 2626.97 6.574 38 2618.55 6.553 150 2609.21 6.529 30 2377.13 5.949 268 2374.39 5.942 267 2084.80 5.217 125 2082.05 5.210 123 2078.57 5.201 137 2075.83 5.195 136 2034.80 5.092 103 2029.30 5.078 241 2023.81 5.064 102 1995.42 4.993 135 1992.49 4.986 134 1989.19 4.978 114 1986.26 4.970 114 1658.57 4.151 58 1655.28 4.142 69 1653.44 4.138 130 1650.33 4.130 127 1648.50 4.125 69 1645.38 4.118 56 1430.53 3.580 35 1424.12 3.564 107 1420.64 3.555 127 1418.99 3.551 181 1415.51 3.542 179 1414.05 3.539 130 1410.20 3.529 97 1403.97 3.513 32 607.56 1.521 1000 527.89 1.321 949
KBr disc
nujol mull
4880 A,200 M,powder
