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58-32-2

双嘧达莫(58-32-2)核磁图(13CNMR)

产品名称:双嘧达莫

CAS:58-32-2

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

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    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

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

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KBr disc

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nujol mull

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