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返回ChemicalBook首页>CAS数据库列表>952-06-7更多图谱> 二苯乙酮肟(帕瑞昔布钠中间体)(952-06-7)质谱(MS)

952-06-7

二苯乙酮肟(帕瑞昔布钠中间体)(952-06-7)质谱(MS)

分子式:C14H13NO

分子量: 211.26

InChI:InChI=1S/C14H13NO/c16-15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,16H,11H2

InChIKey: PWCUVRROUAKTLL-UHFFFAOYSA-N

Smiles:C(=NO)(C1=CC=CC=C1)CC1=CC=CC=C1

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    Mass

    MS-IW-8110          
    deoxybenzoin oxime
    C14H13NO            (Mass of molecular ion:    211)
    

       Source Temperature: 140 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          17.0       1.1
          18.0       6.0
          39.0       5.0
          41.0       1.4
          50.0       2.6
          51.0       8.2
          52.0       1.7
          62.0       1.0
          63.0       4.4
          64.0       1.6
          65.0      17.8
          66.0       1.4
          75.0       1.5
          76.0       5.6
          77.0      39.7
          78.0       3.5
          79.0       1.0
          82.0       1.2
          82.5       1.4
          83.0       1.5
          83.5       1.4
          89.0      10.1
          90.0      12.9
          91.0      84.8
          92.0      24.6
          93.0       9.1
          94.0       1.2
          95.5       1.3
          96.5       1.9
         102.0       1.3
         103.0      15.5
         104.0       6.6
         105.0       1.4
         105.5       1.1
         107.0       1.3
         109.0       2.0
         115.0       1.0
         116.0       6.0
         117.0       1.7
         118.0       1.1
         119.0       3.2
         120.0      15.0
         121.0       1.3
         132.0       1.3
         151.0       1.0
         152.0       3.1
         165.0      17.8
         166.0       6.7
         167.0       7.4
         168.0       1.5
         169.0       1.6
         176.0       1.5
         177.0       2.2
         178.0       5.6
         179.0       2.4
         180.0       1.1
         182.0       1.2
         191.0       1.4
         192.0      15.3
         193.0     100.0
         194.0      41.9
         195.0       9.0
         196.0       1.3
         210.0       8.0
         211.0      86.1
         212.0      14.6
         213.0       1.3
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C14 H13 N O 0.038 g : 0.5 ml CDCl3
    deoxybenzoin oxime
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.62 B 7.606 C 7.32 D 7.25 E 7.18 F 4.221

         Hz     ppm     Int.
    

       3847.05   9.627     70
       3044.89   7.619    240
       3042.60   7.614    253
       3039.86   7.607    173
       3038.79   7.604    262
       3035.13   7.595    269
       2926.94   7.324    666
       2924.35   7.318    491
       2922.06   7.312    247
       2921.14   7.310    344
       2920.07   7.307    351
       2902.22   7.262   1000
       2899.32   7.255    440
       2897.03   7.249    420
       2896.42   7.248    480
       2875.82   7.196    106
       2874.45   7.193    100
       2871.86   7.186     99
       2871.40   7.185    100
       2869.11   7.180    123
       2867.89   7.177    106
       2865.75   7.171    107
       1687.01   4.222    800
    

KBr disc

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nujol mull

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