1,2,3-三(2-氰氧基)丙烷(2465-93-2)核磁圖(¹HNMR)

產(chǎn)品名稱:1,2,3-三(2-氰氧基)丙烷

CAS:2465-93-2

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

¹HNMR

¹³CNMR

IR1

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

¹H NMR	399.65 MHz
C₁₂ H₁₇ N₃ O₃	0.05 ml : 0.5 ml CDCl₃
3,3',3''-(1,2,3-propanetriyltiroxy)tripropionitrile

    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