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网站主页CAS数据库列表 146-22-5更多图谱硝西泮(146-22-5)核磁图(13CNMR)

硝西泮

产品名称 硝西泮

CAS号146-22-5

分子式C15H11N3O3

分子量281.27

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  • Mass

    MS-IW-3438          
    7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
    C15H11N3O3          (Mass of molecular ion:    281)
    

       Source Temperature: 170 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          17.0       1.6
          18.0       7.9
          27.0       1.9
          28.0       5.0
          30.0       1.6
          38.0       1.7
          39.0       5.9
          41.0       1.1
          50.0       5.3
          51.0      16.2
          52.0       5.5
          53.0       1.4
          61.0       1.0
          62.0       4.8
          63.0      13.4
          64.0       3.4
          65.0       4.9
          69.5       1.9
          74.0       4.5
          75.0       9.6
          75.5       4.3
          76.0      20.2
          76.5       2.9
          77.0      28.1
          78.0       6.2
          80.0       1.1
          81.0       1.0
          81.5       2.2
          82.0       2.4
          82.5       2.7
          83.5       2.2
          86.0       2.0
          87.0       3.1
          88.0       3.2
          88.5       2.2
          89.0      13.3
          89.5       5.3
          90.0       9.3
          90.5       1.0
          91.0      10.2
          92.0       1.5
          95.5       4.4
          96.0       1.2
          97.0       1.0
          98.0       1.8
          99.0       2.0
         100.0       1.8
         101.0       2.5
         102.0       7.8
         102.5       3.9
         103.0      19.4
         103.5       7.2
         104.0       9.2
         105.0       1.7
         108.0       1.2
         108.5       3.4
         111.0       1.5
         113.0       2.8
         114.0       2.1
         115.0       3.2
         116.0       5.3
         117.0       5.2
         117.5       4.6
         118.0       2.4
         125.0       1.8
         126.0       5.2
         126.5       1.1
         127.0       3.9
         128.0       2.8
         129.0       2.7
         130.0       2.8
         132.0       1.6
         138.0       1.2
         139.0       3.9
         140.0       3.3
         141.0       1.2
         144.0       1.3
         149.0       1.7
         150.0       5.4
         151.0      13.2
         152.0      12.8
         153.0       4.8
         154.0       1.4
         163.0       3.3
         164.0       3.9
         165.0       3.6
         166.0       3.6
         167.0       3.9
         168.0       1.4
         175.0       1.4
         176.0       2.7
         177.0       8.7
         178.0      13.2
         179.0      19.9
         180.0       6.8
         181.0       1.2
         190.0       2.9
         191.0       2.6
         192.0       3.6
         193.0       4.1
         194.0       5.0
         195.0       2.4
         203.0       1.2
         204.0       2.5
         205.0      33.2
         206.0      61.2
         207.0      25.8
         208.0       5.0
         209.0       1.0
         220.0       1.0
         221.0       1.9
         222.0       5.5
         223.0       2.3
         224.0       1.0
         225.0       4.9
         233.0       2.7
         234.0      63.8
         235.0      14.8
         236.0       5.1
         237.0       1.8
         250.0       1.0
         251.0       2.2
         252.0      51.7
         253.0      95.1
         254.0      45.0
         255.0       6.7
         264.0      33.7
         265.0       6.3
         280.0     100.0
         281.0      92.1
         282.0      15.5
         283.0       1.8
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C15 H11 N3 O3 0.038 g : 0.5 ml DMSO-d6
    7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.19 B 8.429 C 8.031 D 7.54 E 7.54 F 7.48 G 7.47 J 4.263

         Hz     ppm     Int.
    

       4473.27  11.193    453
       3374.94   8.445    386
       3372.19   8.438    394
       3365.94   8.423    401
       3363.19   8.416    441
       3211.06   8.035    675
       3208.31   8.028    664
       3026.89   7.574     57
       3025.51   7.571    118
       3023.99   7.567     86
       3020.78   7.559     88
       3018.34   7.553    369
       3017.43   7.551    476
       3016.05   7.547    608
       3010.41   7.533    504
       3008.88   7.529    906
       2992.25   7.488   1000
       2989.50   7.481    203
       2983.40   7.466    921
       2978.52   7.453    121
       2976.84   7.449    267
       2975.92   7.447    183
       1703.95   4.264    225
    

in DMSO-d6



KBr disc



nujol mull



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