2′,3′-O-Isopropylideneuridine(362-43-6) MS
Product Name2′,3′-O-Isopropylideneuridine
CAS362-43-6
Molecular FormulaC12H16N2O6
Molecular Weight284.27
InChIInChI=1S/C12H16N2O6/c1-12(2)19-8-6(5-15)18-10(9(8)20-12)14-4-3-7(16)13-11(14)17/h3-4,6,8-10,15H,5H2,1-2H3,(H,13,16,17)/t6-,8-,9-,10-/m1/s1
InChIKey GFDUSNQQMOENLR-PEBGCTIMSA-N
SmilesOC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@@H]2OC(O[C@H]12)(C)C
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MassMS-NW-6931 2',3'-O-isopropylideneuridine C12H16N2O6 (Mass of molecular ion: 284)
Source Temperature: 220 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 3.8 18.0 2.2 26.0 3.9 27.0 7.9 28.0 10.6 29.0 8.6 31.0 16.8 39.0 11.0 40.0 9.3 41.0 21.5 42.0 10.5 43.0 65.5 44.0 5.1 45.0 3.8 52.0 2.1 53.0 5.7 54.0 7.3 55.0 13.9 56.0 3.5 57.0 36.2 58.0 6.2 59.0 100.0 60.0 4.2 61.0 1.6 67.0 7.6 68.0 65.8 69.0 48.8 70.0 13.2 71.0 34.8 72.0 1.8 73.0 14.1 76.5 1.3 80.0 2.1 81.0 3.0 82.0 5.7 83.0 4.0 84.0 11.9 85.0 26.8 86.0 18.8 87.0 4.1 89.0 1.1 94.0 1.5 95.0 13.6 96.0 9.4 97.0 9.7 97.5 1.0 98.0 10.7 99.0 1.5 100.0 1.5 101.0 8.5 108.0 2.0 109.0 1.3 110.0 2.1 111.0 1.5 112.0 21.1 113.0 50.8 114.0 32.9 115.0 17.0 116.0 1.2 122.0 1.3 124.0 3.6 125.0 2.8 126.0 11.0 127.0 2.2 129.0 8.6 136.0 5.1 137.0 19.3 138.0 7.1 139.0 1.3 141.0 8.5 142.0 4.1 148.0 4.3 152.0 2.5 153.0 1.3 154.0 1.0 155.0 2.9 157.0 4.8 166.0 2.1 167.0 10.3 168.0 1.1 170.0 3.0 172.0 3.8 173.0 82.5 174.0 7.8 175.0 1.2 179.0 14.6 180.0 2.7 195.0 9.5 196.0 2.3 209.0 13.8 210.0 1.7 226.0 4.3 227.0 2.2 253.0 4.5 269.0 26.7 270.0 3.9 284.0 4.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H16 N2 O6 0.039 g : 0.5 ml DMSO-d6 2',3'-O-isopropylideneuridine 
Assign. Shift(ppm)
A 11.4 B 7.800 C 5.838 D 5.644 E 5.10 F 4.898 G 4.752 J 4.075 K 3.58 L *1 1.489 M *1 1.291 ASSIGNED BY C-H COSY
Hz ppm Int.4552.42 11.392 149 3121.52 7.811 297 3113.46 7.791 307 2334.46 5.842 255 2331.89 5.835 252 2259.73 5.655 189 2251.67 5.635 189 2043.22 5.113 79 2037.91 5.100 179 2032.60 5.086 83 1962.45 4.911 117 1959.70 4.904 114 1956.03 4.895 139 1953.47 4.888 140 1903.83 4.764 131 1900.35 4.756 135 1897.60 4.749 109 1893.94 4.739 111 1634.94 4.091 52 1630.55 4.080 135 1626.70 4.071 138 1622.49 4.060 56 1446.47 3.620 33 1441.34 3.607 36 1439.51 3.602 82 1434.38 3.590 132 1429.80 3.578 105 1427.97 3.574 140 1422.84 3.561 80 1416.06 3.544 40 595.11 1.490 1000 515.98 1.292 954
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
