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51-15-0

氯解磷定(51-15-0)質(zhì)譜(MS)

產(chǎn)品名稱:氯解磷定

CAS:51-15-0

分子式:C7H9ClN2O

分子量: 172.61

InChI:InChI=1S/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H

InChIKey: HIGSLXSBYYMVKI-UHFFFAOYSA-N

Smiles:C1(/C=N/O)C=CC=C[N+]=1C.[Cl-]

  • 圖譜
    Mass

    MS-NW-8736          
    2-hydroxyiminomethyl-1-methylpyridinium chloride
    C6H6N2O CH3Cl       (Mass of molecular ion:    172)
    

       Source Temperature: 230 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          15.0       4.3
          17.0       5.5
          18.0      29.2
          26.0       5.8
          27.0      26.9
          28.0       7.4
          30.0       1.1
          35.0       6.2
          36.0      82.0
          37.0       3.9
          38.0      28.3
          39.0      12.1
          40.0       2.9
          41.0       5.4
          42.0       8.5
          43.0       1.3
          44.0       1.6
          49.0       2.2
          50.0      17.1
          51.0      20.4
          52.0      15.0
          53.0       6.9
          54.0       2.1
          55.0       1.8
          59.0       1.1
          59.5       1.7
          61.0       1.3
          62.0       2.2
          63.0       6.9
          64.0       9.8
          65.0      18.4
          66.0       8.2
          67.0       3.7
          68.0       1.4
          75.0       3.5
          76.0       8.4
          77.0      38.2
          78.0      74.5
          79.0      21.2
          80.0       7.0
          81.0       6.1
          90.0       4.9
          91.0       8.2
          92.0      28.9
          93.0      10.4
          94.0       3.2
         103.0       6.0
         104.0      65.0
         105.0       8.2
         106.0       5.7
         107.0      10.5
         108.0       2.4
         109.0      17.9
         110.0       1.5
         117.0       4.2
         118.0      42.2
         119.0     100.0
         120.0      13.8
         121.0       3.7
         122.0       7.3
         129.0       1.0
         131.0       2.1
         132.0       6.6
         133.0       1.0
         135.0       6.0
         136.0      38.9
         137.0       6.4
         138.0       2.1
         144.0       1.9
         193.0       1.1
         194.0       1.4
         195.0       1.2
         208.0       2.5
         209.0       1.6
    

400 MHz in D2O

  • 圖譜

    1H NMR 399.65 MHz
    C7 H9 Cl N2 O 0.036 g : 0.5 ml D2O
    2-hydroxyiminomethyl-1-methylpyridinium chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.818 B 8.730 C 8.543 D 8.427 E 8.039 F 4.444

         Hz     ppm     Int.
    

       3527.83   8.828    111
       3527.34   8.827    109
       3521.61   8.812    116
       3521.00   8.811    114
       3489.01   8.731    390
       3423.46   8.567     47
       3422.97   8.565     48
       3415.28   8.546    113
       3407.59   8.527     71
       3407.10   8.526     72
       3372.19   8.438    111
       3370.97   8.435    124
       3364.01   8.418     83
       3362.79   8.415     88
       3220.70   8.059     56
       3219.24   8.056     60
       3214.36   8.043     64
       3213.01   8.040    107
       3206.67   8.024     52
       3205.32   8.021     54
       1776.00   4.444   1000
    

in D2O

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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