2',3'-O-Isopropylideneinosine(2140-11-6) IR2
Product Name2',3'-O-Isopropylideneinosine
CAS2140-11-6
Molecular FormulaC13H16N4O5
Molecular Weight308.29
InChIInChI=1S/C13H16N4O5/c1-13(2)21-8-6(3-18)20-12(9(8)22-13)17-5-16-7-10(17)14-4-15-11(7)19/h4-6,8-9,12,18H,3H2,1-2H3,(H,14,15,19)/t6-,8-,9-,12-/m1/s1
InChIKey LIEKLUBCIPVWQD-WOUKDFQISA-N
SmilesOC[C@H]1O[C@@H](N2C3C(=C(N=CN=3)O)N=C2)[C@@H]2OC(O[C@H]12)(C)C
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MassMS2008-03854CW 2',3'-O-isopropylideneinosine C13H16N4O5 (Mass of molecular ion: 308)
Source Temperature: 250 °C Sample Temperature: 50 °C Direct, 70 eV
27.0 1.4 28.0 4.6 29.0 1.9 31.0 4.3 39.0 2.0 40.0 1.0 41.0 5.9 43.0 14.1 45.0 1.4 53.0 1.7 54.0 3.2 55.0 4.5 57.0 5.1 59.0 24.6 60.0 1.0 67.0 1.6 68.0 6.0 69.0 11.5 70.0 1.4 71.0 11.9 73.0 6.5 80.0 1.4 81.0 2.5 82.0 1.0 85.0 8.8 86.0 1.6 93.0 1.2 94.0 1.1 97.0 2.1 101.0 3.3 107.0 3.1 108.0 2.8 109.0 6.2 110.0 3.2 114.0 1.1 115.0 4.1 119.0 1.0 129.0 3.3 134.0 1.9 135.0 2.8 136.0 100.0 137.0 46.2 138.0 3.3 149.0 2.0 157.0 1.9 162.0 2.6 163.0 1.4 165.0 5.2 173.0 5.9 174.0 1.0 179.0 1.5 191.0 2.6 203.0 2.7 205.0 2.4 219.0 12.9 220.0 3.0 221.0 2.3 250.0 2.0 277.0 1.7 293.0 8.7 294.0 1.4 308.0 4.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C13 H16 N4 O5 0.045 g : 0.5 ml DMSO-d6 2',3'-O-isopropylideneinosine 
Assign. Shift(ppm)
A 12.5 B 8.335 C 8.120 D 6.123 E 5.285 F 5.15 G 4.951 J 4.250 K 3.562 L *1 1.544 M *1 1.330
Hz ppm Int.4981.95 12.466 54 3331.43 8.336 604 3248.27 8.128 33 3245.53 8.121 581 2448.75 6.128 262 2445.82 6.120 260 2116.86 5.297 129 2113.92 5.290 126 2110.81 5.282 135 2107.88 5.275 130 2057.69 5.149 68 1982.96 4.962 136 1980.21 4.955 135 1976.73 4.947 122 1974.17 4.940 119 1702.35 4.260 61 1699.60 4.253 71 1697.59 4.248 134 1694.84 4.241 130 1692.82 4.236 69 1690.08 4.229 57 1423.94 3.563 185 1423.57 3.563 186 617.64 1.546 1000 531.73 1.331 955
in DMSO-d6
KBr disc
nujol mull
