N-6-(DELTA-2-ISOPENTENYL)ADENOSINE HEMIHYDRATE, 99+%(33156-15-9) 1H NMR
Product NameN-6-(DELTA-2-ISOPENTENYL)ADENOSINE HEMIHYDRATE, 99+%
CAS33156-15-9
Molecular FormulaC15H21N5O4
Molecular Weight335.36
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MassMS-IW-1213 N(6)-(3-methyl-2-butenyl)adenosine C15H21N5O4 1/2H2O (Mass of molecular ion: 335)
Source Temperature: 220 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 5.6 19.0 1.3 27.0 2.7 28.0 5.6 29.0 3.4 30.0 2.3 31.0 2.8 39.0 2.6 40.0 1.2 41.0 13.8 42.0 1.9 43.0 4.3 44.0 1.3 45.0 2.4 53.0 2.5 54.0 1.8 55.0 3.0 56.0 1.6 57.0 4.6 60.0 1.3 61.0 1.9 65.0 1.4 66.0 2.1 67.0 4.0 68.0 2.1 69.0 5.2 70.0 2.2 71.0 1.6 73.0 3.6 80.0 1.1 81.0 1.9 82.0 1.3 84.0 5.8 85.0 1.4 92.0 2.2 93.0 3.3 94.0 2.4 106.0 1.1 108.0 13.3 109.0 1.9 119.0 9.6 120.0 4.5 121.0 2.8 133.0 1.6 134.0 2.7 135.0 55.1 136.0 26.8 137.0 1.9 146.0 1.4 148.0 13.0 149.0 2.4 159.0 3.3 160.0 100.0 161.0 14.4 162.0 2.7 164.0 16.2 165.0 1.4 171.0 2.0 173.0 3.4 174.0 3.6 175.0 5.5 176.0 3.3 177.0 1.2 178.0 9.7 179.0 1.0 185.0 6.8 186.0 3.5 187.0 3.2 188.0 62.0 189.0 7.6 190.0 1.3 199.0 2.5 200.0 1.7 201.0 1.5 202.0 26.3 203.0 76.8 204.0 17.5 205.0 1.6 230.0 1.6 232.0 23.2 233.0 3.2 246.0 16.7 247.0 2.6 267.0 3.4 288.0 1.2 292.0 27.9 293.0 4.3 304.0 1.6 305.0 1.6 320.0 7.8 321.0 1.3 335.0 44.9 336.0 11.0 337.0 1.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C15 H21 N5 O4 0.031 g : 0.5 ml DMSO-d6 N(6)-(3-methyl-2-butenyl)adenosine 
Assign. Shift(ppm)
A 8.356 B 8.23 C 7.92 D 5.903 E 5.46 F 5.315 G 5.20 J 4.623 K 4.17 L 4.09 M 3.988 N *1 3.692 P *1 3.571 Q *2 1.705 R *2 1.673 ASSIGNED BY H-H COSY.
Hz ppm Int.3343.02 8.365 49 3339.60 8.357 479 3287.48 8.226 93 3163.94 7.917 45 2362.30 5.911 261 2356.20 5.896 271 2186.16 5.471 143 2184.33 5.466 147 2180.30 5.456 208 2172.73 5.437 87 2131.10 5.333 59 2130.00 5.330 56 2129.76 5.330 56 2125.73 5.319 98 2124.39 5.316 117 2123.29 5.313 100 2119.02 5.303 60 2117.92 5.300 64 2084.23 5.216 127 2079.96 5.205 126 1852.05 4.635 109 1846.68 4.621 110 1671.75 4.184 65 1667.85 4.174 124 1664.79 4.166 124 1661.13 4.157 69 1660.64 4.156 70 1632.08 4.084 72 1598.75 4.001 74 1595.46 3.993 196 1592.29 3.985 192 1588.99 3.976 75 1482.79 3.711 71 1474.49 3.690 72 1470.83 3.681 108 1467.04 3.671 62 1439.33 3.602 59 1435.91 3.593 68 1432.13 3.584 69 1428.34 3.574 77 681.52 1.706 1000 668.95 1.674 852 668.21 1.672 848
in DMSO-d6
KBr disc
nujol mull
