3,5-O-(1,1,3,3-Tetraisopropyl-1,3-disiloxanediyl)adenosine(69304-45-6) MS
Molecular FormulaC22H39N5O5Si2
Molecular Weight509.75
InChIInChI=1S/C22H39N5O5Si2/c1-12(2)33(13(3)4)29-9-16-19(31-34(32-33,14(5)6)15(7)8)18(28)22(30-16)27-11-26-17-20(23)24-10-25-21(17)27/h10-16,18-19,22,28H,9H2,1-8H3,(H2,23,24,25)/t16-,18-,19-,22-/m1/s1
InChIKey KHVLHRYSOPSVJR-WGQQHEPDSA-N
SmilesO1[Si](C(C)C)(C(C)C)O[Si](O[C@H]2[C@H]([C@H](N3C4C(=C(N=CN=4)N)N=C3)O[C@@H]2C1)O)(C(C)C)C(C)C
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MassMS-KW-0212 (-)-3',5'-O-(1,1,3,3-tetraisopropyl-1,3-disiloxanediyl)adenosine C22H39N5O5Si2 (Mass of molecular ion: 509)
Source Temperature: 200 °C Sample Temperature: 190 °C Direct, 75 eV
17.0 1.1 18.0 8.2 26.0 3.3 27.0 13.1 28.0 12.5 29.0 3.1 38.0 1.4 39.0 6.5 40.0 2.9 41.0 13.0 42.0 5.8 43.0 9.5 44.0 1.1 45.0 1.4 53.0 2.6 54.0 2.8 55.0 5.6 57.0 1.3 59.0 1.8 61.0 3.1 66.0 2.7 67.0 2.7 68.0 1.4 69.0 3.6 70.0 1.2 71.0 1.7 73.0 1.1 75.0 4.0 77.0 2.6 79.0 2.0 80.0 1.3 81.0 9.9 82.0 1.2 85.0 1.2 87.0 1.9 88.0 1.0 89.0 2.1 91.0 1.7 93.0 1.6 94.0 1.6 95.0 1.9 96.0 1.0 97.0 13.0 98.0 1.0 101.0 2.2 102.0 1.1 103.0 6.6 104.0 1.1 105.0 11.7 106.0 1.8 107.0 3.4 108.0 7.6 108.5 1.0 109.0 2.0 115.0 2.0 117.0 1.4 119.0 19.4 120.0 3.1 121.0 12.4 122.0 1.7 123.0 2.7 126.5 1.1 129.0 1.2 131.0 3.9 133.0 9.1 134.0 2.2 135.0 41.1 136.0 100.0 137.0 15.3 138.0 1.4 139.0 1.4 143.0 1.4 145.0 4.9 146.0 1.4 147.0 18.0 148.0 6.4 149.0 5.7 151.0 2.5 154.5 1.1 159.0 6.9 160.0 1.9 161.0 11.7 162.0 3.2 163.0 10.6 164.0 80.1 165.0 11.4 166.0 1.2 168.0 1.3 168.5 1.9 171.0 1.4 173.0 3.3 174.0 1.4 175.0 17.4 176.0 4.7 177.0 5.1 178.0 3.6 179.0 2.7 183.0 1.1 183.5 1.5 185.0 4.2 186.0 1.2 187.0 3.3 188.0 1.0 189.0 9.6 190.0 2.9 191.0 8.7 192.0 1.6 193.0 2.2 194.0 7.6 195.0 1.1 197.5 1.9 198.0 1.1 201.0 2.1 202.0 4.4 203.0 6.8 204.0 2.0 205.0 3.8 207.0 4.1 209.0 1.4 211.5 3.4 214.0 2.9 215.0 2.4 217.0 10.3 218.0 2.4 219.0 5.3 220.0 1.1 229.0 2.2 231.0 9.5 232.0 3.6 233.0 5.2 234.0 1.1 235.0 12.5 236.0 2.7 237.0 1.5 243.0 1.5 245.0 1.6 247.0 7.7 248.0 2.0 249.0 1.1 257.0 2.1 259.0 18.2 260.0 4.2 261.0 6.5 262.0 1.5 263.0 1.7 264.0 1.3 266.0 1.1 271.0 1.8 273.0 4.1 274.0 1.1 285.0 2.4 287.0 3.3 289.0 4.5 290.0 1.4 301.0 2.8 303.0 4.0 304.0 1.0 313.0 6.9 314.0 1.9 315.0 2.6 331.0 5.8 332.0 1.7 346.0 5.9 347.0 1.7 352.0 2.1 357.0 4.3 358.0 1.2 370.0 1.1 394.0 3.7 395.0 1.0 466.0 24.4 467.0 7.9 468.0 3.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C22 H39 N5 O5 Si2 0.031 g : 0.5 ml DMSO-d6 (-)-3',5'-O-(1,1,3,3-tetraisopropyl-1,3-disiloxanediyl)adenosine 
Assign. Shift(ppm)
A 8.228 B 8.092 C 7.35 D 5.89 E 5.657 F 4.810 G 4.532 J *1 4.072 K 4.018 L *1 3.941 M 1.05 N 1.00
Hz ppm Int.3288.57 8.229 202 3234.25 8.093 214 2937.62 7.351 80 2354.37 5.892 125 2262.45 5.662 48 2258.06 5.651 48 1929.32 4.828 37 1924.19 4.815 40 1920.78 4.807 39 1915.77 4.794 40 1815.92 4.544 31 1811.16 4.532 50 1632.93 4.086 30 1632.69 4.086 30 1623.41 4.063 35 1620.24 4.055 46 1612.92 4.036 31 1610.11 4.029 39 1601.56 4.008 39 1581.42 3.958 41 1579.10 3.952 40 1568.85 3.926 32 418.33 1.047 1000 414.31 1.037 717 406.49 1.018 175 399.66 1.001 78 393.92 0.986 70
in DMSO-d6
