53166-52-2

2'-O,3'-O-(4-Methoxybenzylidene)uridine(53166-52-2) IR1

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

Molecular FormulaC17H18N2O7

Molecular Weight362.33

InChIInChI=1S/C17H18N2O7/c1-23-10-4-2-9(3-5-10)16-25-13-11(8-20)24-15(14(13)26-16)19-7-6-12(21)18-17(19)22/h2-7,11,13-16,20H,8H2,1H3,(H,18,21,22)/t11-,13-,14-,15-,16?/m1/s1

InChIKey SSPORNDSMRIMHB-ALTVCHKUSA-N

SmilesOC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@@H]2OC(O[C@H]12)C1=CC=C(OC)C=C1

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IR1

IR2

2'-O,3'-O-(4-Methoxybenzylidene)uridine(53166-52-2) IR1
Mass

MS-NW-7123          
2',3'-O-p-anisylideneuridine
C17H18N2O7          (Mass of molecular ion:    362)

   Source Temperature: 240 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      15.0       1.3
      18.0       1.1
      26.0       1.7
      27.0       3.4
      28.0       6.2
      29.0       4.9
      31.0       5.1
      38.0       1.3
      39.0       7.1
      40.0       5.1
      41.0       7.7
      42.0       7.0
      43.0       3.8
      44.0       1.9
      50.0       1.8
      51.0       5.4
      52.0       1.3
      53.0       2.1
      54.0       2.0
      55.0       3.9
      57.0       7.0
      63.0       2.6
      64.0       2.7
      65.0       4.7
      66.0       1.7
      67.0       2.3
      68.0      11.3
      69.0      22.6
      70.0       4.3
      71.0       3.0
      76.0       1.4
      77.0      14.4
      78.0       3.4
      79.0       2.2
      81.0       1.5
      82.0       1.5
      84.0       1.1
      85.0       3.6
      86.0       2.5
      87.0       1.9
      89.0       1.4
      90.0       1.4
      91.0       4.4
      92.0       5.7
      93.0       1.5
      94.0       3.7
      95.0       2.2
      96.0       2.5
      97.0       1.6
      98.0       2.7
      99.0       3.6
     105.0       2.5
     107.0       5.0
     108.0      10.2
     109.0       5.8
     112.0      16.8
     113.0       6.5
     114.0       5.6
     115.0       6.6
     120.0       1.3
     121.0       9.9
     122.0       1.7
     133.0       1.2
     134.0       2.1
     135.0     100.0
     136.0      99.3
     137.0      25.5
     138.0       2.9
     141.0       1.6
     147.0       4.2
     148.0       1.1
     149.0       2.2
     150.0       1.5
     152.0       5.2
     153.0       1.6
     160.0       1.0
     163.0       1.3
     175.0       5.7
     179.0       4.2
     180.0       3.5
     191.0       1.2
     192.0       3.2
     195.0       4.3
     205.0       7.4
     206.0       1.1
     209.0       1.3
     210.0       1.4
     221.0       1.5
     226.0       4.7
     227.0       1.1
     249.0       2.7
     250.0      26.5
     251.0       6.8
     252.0       1.0
     361.0       5.3
     362.0       7.4
     363.0       1.5

KBr disc

nujol mull

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