Product Name2'-O,3'-O-(4-Methoxybenzylidene)adenosine
CAS47578-96-1
Molecular FormulaC18H19N5O5
Molecular Weight385.37
InChIInChI=1S/C18H19N5O5/c1-25-10-4-2-9(3-5-10)18-27-13-11(6-24)26-17(14(13)28-18)23-8-22-12-15(19)20-7-21-16(12)23/h2-5,7-8,11,13-14,17-18,24H,6H2,1H3,(H2,19,20,21)/t11-,13-,14-,17-,18?/m1/s1
InChIKey BVSFPDDCDGRBLQ-WAOLGMKOSA-N
SmilesOC[C@H]1O[C@@H](N2C3C(=C(N=CN=3)N)N=C2)[C@@H]2OC(O[C@H]12)C1=CC=C(OC)C=C1
Mass
MS-NW-7092 2',3'-O-p-anisylideneadenosine C18H19N5O5 (Mass of molecular ion: 385)
Source Temperature: 210 °C Sample Temperature: 220 °C Direct, 75 eV
15.0 1.2 17.0 1.3 18.0 6.3 27.0 4.1 28.0 10.6 29.0 4.6 30.0 1.2 31.0 7.4 38.0 1.2 39.0 5.7 40.0 2.1 41.0 8.4 42.0 1.3 43.0 4.4 45.0 1.4 50.0 1.2 51.0 3.4 52.0 1.4 53.0 2.7 54.0 5.1 55.0 4.0 56.0 1.0 57.0 4.4 63.0 1.8 64.0 2.1 65.0 3.9 66.0 4.3 67.0 3.0 68.0 3.3 69.0 21.7 70.0 2.1 71.0 1.9 73.0 1.3 77.0 12.2 78.0 2.5 79.0 2.4 80.0 1.6 81.0 5.2 82.0 1.0 84.0 1.0 85.0 2.8 87.0 1.1 90.0 1.2 91.0 3.4 92.0 5.8 93.0 2.2 94.0 4.3 99.0 2.8 105.0 2.0 106.0 2.1 107.0 5.3 108.0 16.3 109.0 7.6 114.0 4.1 115.0 2.3 119.0 3.2 120.0 1.7 121.0 10.3 122.0 1.4 133.0 3.0 134.0 5.1 135.0 100.0 136.0 93.5 137.0 17.3 138.0 1.7 145.0 1.4 146.0 1.1 147.0 3.4 148.0 2.7 148.5 1.0 149.0 2.7 150.0 1.3 152.0 3.2 153.0 1.1 159.0 1.2 160.0 2.6 161.0 3.2 162.0 4.8 163.0 2.1 164.0 40.8 165.0 4.2 173.0 1.4 174.0 1.6 175.0 7.0 176.0 1.3 177.0 1.2 178.0 1.4 190.0 2.7 191.0 1.1 192.0 1.3 202.0 4.5 203.0 1.7 205.0 6.1 206.0 1.1 218.0 58.7 219.0 19.0 220.0 3.2 221.0 1.5 249.0 11.7 250.0 5.5 251.0 1.7 296.0 2.2 297.0 3.4 354.0 2.3 355.0 11.4 356.0 2.5
KBr disc
nujol mull
2'-O,3'-O-(4-Methoxybenzylidene)adenosine(47578-96-1) MS Atlas of Related Products
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