58-32-2

双嘧达莫(58-32-2)核磁图(¹³CNMR)

分子式:C24H40N8O4

分子量: 504.63

InChI:InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2

InChIKey: IZEKFCXSFNUWAM-UHFFFAOYSA-N

Smiles:C1(N(CCO)CCO)=NC(N2CCCCC2)=C2N=C(N(CCO)CCO)N=C(N3CCCCC3)C2=N1

Mass

MS-IW-5677          
dipyridamole
C24H40N8O4          (Mass of molecular ion:    504)

   Source Temperature: 190 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      17.0       2.7
      18.0      13.1
      27.0       1.3
      28.0       3.4
      29.0       1.4
      30.0       1.7
      41.0       3.5
      42.0       2.2
      43.0       1.4
      44.0       2.1
      45.0       2.0
      55.0       2.0
      56.0       2.9
      57.0       1.5
      69.0       1.9
      70.0       1.4
      79.0       1.0
      82.0       1.0
      84.0       8.1
      85.0       2.9
      86.0       1.0
     114.0       1.4
     135.0       1.0
     148.0       1.0
     149.0       1.5
     156.0       2.6
     162.0       1.2
     163.0       2.7
     173.0       1.3
     176.0       1.4
     177.0       2.0
     183.0       1.1
     184.0       5.1
     184.5       1.3
     185.0       1.2
     186.0       1.0
     187.0       1.6
     188.0       1.0
     189.0       1.0
     190.0       2.5
     191.0       7.4
     191.5       1.8
     197.0       1.0
     198.0       2.2
     199.0       4.3
     200.0       1.4
     201.0       1.1
     202.0       1.3
     203.0       1.1
     205.0       1.3
     206.0       7.2
     206.5       1.9
     212.0       4.0
     212.5       1.0
     213.0       1.5
     214.0       1.6
     215.0       1.3
     216.0       1.1
     220.0       1.3
     221.0      19.4
     221.5       5.2
     222.0       1.0
     227.0       1.4
     228.0       1.4
     229.0       1.1
     234.0       2.9
     236.5       1.7
     241.0       1.3
     242.0       1.0
     243.0       2.9
     252.0       6.0
     255.0       1.1
     256.0       1.1
     257.0       1.0
     270.0       1.5
     271.0       1.1
     272.0       1.1
     273.0       1.0
     284.0       1.3
     285.0       1.3
     287.0       1.0
     299.0       1.6
     300.0       1.0
     302.0       1.1
     314.0       1.7
     315.0       1.1
     316.0       1.5
     317.0       1.8
     328.0       1.3
     329.0       1.4
     330.0       1.1
     341.0       1.0
     342.0       1.2
     343.0       1.4
     344.0       2.6
     345.0       1.3
     346.0       2.3
     353.0       1.5
     355.0       1.6
     356.0       1.2
     357.0       1.0
     358.0       1.2
     359.0       1.0
     360.0       2.7
     361.0       1.6
     367.0       1.7
     369.0       1.2
     372.0       1.7
     373.0       1.9
     374.0       1.5
     376.0       1.1
     383.0       1.3
     385.0       4.1
     386.0       1.8
     387.0       1.5
     388.0       1.4
     390.0       5.8
     391.0       2.0
     392.0       1.3
     397.0       2.7
     398.0       1.2
     399.0       5.3
     400.0       2.5
     401.0       1.3
     402.0       1.1
     404.0       1.2
     405.0       1.5
     411.0       4.6
     412.0       2.1
     413.0       1.7
     417.0       1.3
     418.0       1.0
     421.0       1.6
     422.0       1.6
     425.0       1.3
     427.0       2.3
     429.0      44.5
     430.0      13.3
     431.0       3.1
     441.0       1.2
     442.0       1.6
     443.0       7.7
     444.0       3.7
     445.0       1.3
     448.0       1.4
     455.0       4.2
     456.0       2.7
     457.0       1.3
     459.0       2.6
     460.0       4.9
     461.0       4.9
     462.0       1.3
     468.0       1.0
     473.0      49.3
     474.0      21.2
     475.0       5.1
     486.0       5.7
     487.0       4.0
     488.0       1.1
     503.0       6.4
     504.0     100.0
     505.0      29.0
     506.0       5.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₄ H₄₀ N₈ O₄	0.041 g : 0.5 ml DMSO-d₆
dipyridamole

    Assign.     Shift(ppm)

      A             4.73
      B             4.054
      C             3.59
      D          1.65 to 1.58
     
     ASSIGNED BY H-H COSY.

     Hz     ppm     Int.

   1889.89   4.729    282
   1619.51   4.053    239
   1436.65   3.595   1000
    654.79   1.639    126
    648.07   1.622    174
    641.85   1.607    212
    639.04   1.599    198

in DMSO-d6