2'-O,3'-O-(4-Methoxybenzylidene)adenosine(47578-96-1) IR1

Product Name2'-O,3'-O-(4-Methoxybenzylidene)adenosine

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

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IR1

IR2

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

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