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返回ChemicalBook首页>CAS数据库列表>2465-93-2更多图谱> 1,2,3-三(2-氰氧基)丙烷(2465-93-2)红外图谱(IR1)

2465-93-2

1,2,3-三(2-氰氧基)丙烷(2465-93-2)红外图谱(IR1)

分子式:C12H17N3O3

分子量: 251.28

InChI:InChI=1S/C12H17N3O3/c13-4-1-7-16-10-12(18-9-3-6-15)11-17-8-2-5-14/h12H,1-3,7-11H2

InChIKey: ALGVJKNIAOBBBJ-UHFFFAOYSA-N

Smiles:C(OCCC#N)C(OCCC#N)COCCC#N

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    Mass

    MS-NW-6124          
    3,3',3''-(1,2,3-propanetriyltiroxy)tripropionitrile
    C12H17N3O3          (Mass of molecular ion:    251)
    

       Source Temperature: 230 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          15.0       5.0
          18.0       1.7
          19.0       1.1
          26.0       4.5
          27.0      11.2
          28.0      16.4
          29.0       6.5
          30.0       1.4
          31.0      18.0
          39.0       2.2
          40.0       1.5
          41.0       7.0
          42.0       5.3
          43.0      11.9
          44.0       5.5
          45.0      15.5
          51.0       1.2
          52.0       4.3
          53.0       4.4
          54.0     100.0
          55.0      11.9
          56.0       4.2
          57.0      10.4
          58.0       5.1
          59.0       1.0
          61.0       3.7
          68.0       3.2
          69.0       1.7
          70.0       1.5
          71.0       2.0
          72.0       2.5
          73.0       7.5
          84.0      25.4
          85.0       9.7
          86.0      13.1
          87.0       1.4
          96.0       2.4
          97.0      19.6
          98.0       7.8
         107.0       5.5
         110.0      12.6
         111.0       5.5
         112.0       2.5
         113.0      17.1
         114.0      14.1
         115.0       1.0
         126.0       2.7
         137.0       1.5
         139.0       1.2
         150.0       1.3
         166.0       4.7
         167.0      65.0
         168.0       6.5
         181.0       2.4
         182.0       1.9
         251.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C12 H17 N3 O3 0.05 ml : 0.5 ml CDCl3
    3,3',3''-(1,2,3-propanetriyltiroxy)tripropionitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.869 B 3.72 C 3.62 D 2.64

         Hz     ppm     Int.
    

       1552.49   3.885    256
       1550.29   3.880     33
       1546.39   3.870    497
       1540.28   3.855    267
       1538.09   3.849     35
       1501.71   3.758     42
       1500.73   3.756     89
       1499.39   3.752     37
       1495.73   3.743    136
       1494.51   3.740    250
       1492.19   3.734    304
       1490.84   3.731    312
       1489.62   3.728    227
       1488.40   3.725    284
       1486.08   3.719    550
       1484.74   3.716    601
       1482.18   3.709    186
       1479.98   3.704    337
       1478.64   3.700    343
       1474.98   3.691    112
       1472.66   3.685     32
       1471.31   3.682     35
       1468.99   3.676     36
       1465.45   3.667    159
       1461.30   3.657    103
       1455.20   3.642    358
       1451.05   3.631    279
       1447.51   3.622     68
       1444.82   3.616    350
       1438.96   3.601    259
       1434.45   3.590    172
       1433.23   3.587    108
       1430.05   3.579    106
       1428.59   3.575    129
       1424.32   3.564     85
       1420.29   3.554     34
       1061.16   2.656    617
       1060.42   2.654    415
       1055.05   2.640   1000
       1054.20   2.638    692
       1051.51   2.632    118
       1048.95   2.625    541
       1048.10   2.623    368
    

in CDCl3

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liquid film

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