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17849-38-6

邻氯苄醇(17849-38-6)核磁图(1HNMR)

产品名称:邻氯苄醇

CAS:17849-38-6

分子式:C7H7ClO

分子量: 142.58

InChI:InChI=1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2

InChIKey: MBYQPPXEXWRMQC-UHFFFAOYSA-N

Smiles:C1(CO)=CC=CC=C1Cl

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    Mass

    MS-NW-7146          
    o-chlorobenzyl alcohol
    C7H7ClO             (Mass of molecular ion:    142)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       1.2
          26.0       1.3
          27.0       5.0
          28.0       2.5
          29.0       6.3
          31.0       5.4
          36.0       1.9
          37.0       3.3
          38.0       5.5
          39.0      10.7
          43.0       1.7
          44.0       1.2
          49.0       2.4
          50.0      17.9
          51.0      29.0
          52.0       6.1
          53.0       8.0
          61.0       2.8
          62.0       4.7
          63.0       8.8
          64.0       1.4
          70.5       2.4
          73.0       3.4
          74.0       6.6
          75.0      12.4
          76.0       5.4
          77.0     100.0
          78.0      12.4
          79.0      86.7
          80.0       5.9
          84.0       1.2
          85.0       2.3
          86.0       1.6
          87.0       1.4
          89.0      11.0
          90.0       2.4
          91.0       1.1
          99.0       2.5
         105.0      17.7
         106.0       9.0
         107.0      71.8
         108.0       5.8
         111.0       5.4
         112.0       2.6
         113.0      14.6
         114.0       1.8
         115.0       4.4
         124.0       1.1
         125.0      10.6
         126.0       1.5
         127.0       3.5
         139.0       3.1
         141.0      11.4
         142.0      43.3
         143.0       6.7
         144.0      14.0
         145.0       1.2
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H7 Cl O 0.050 g : 0.5 ml CDCl3
    o-chlorobenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.449 B 7.338 C *1 7.26 D *1 7.22 E 4.738 F 2.51 J(E,F)=5.7HZ.

         Hz     ppm     Int.
    

       2981.93   7.462    409
       2981.57   7.461    420
       2980.47   7.458    354
       2979.86   7.457    522
       2975.46   7.446    229
       2974.73   7.444    485
       2974.12   7.442    518
       2973.39   7.440    424
       2972.66   7.439    490
       2941.16   7.360     46
       2937.74   7.351    546
       2936.28   7.348    484
       2933.59   7.341     58
       2930.18   7.332    880
       2928.59   7.328    780
       2919.19   7.305     30
       2918.95   7.304     30
       2918.09   7.302     32
       2913.09   7.290     44
       2911.38   7.285     46
       2909.30   7.280    259
       2907.71   7.276    312
       2905.76   7.271     69
       2901.86   7.262    729
       2900.27   7.258    689
       2894.65   7.243    673
       2892.82   7.239    729
       2890.14   7.232    597
       2887.08   7.225     65
       2884.77   7.219    534
       2882.69   7.214    534
       2879.64   7.206     38
       2877.08   7.200    194
       2875.24   7.195    171
       1906.74   4.772     48
       1906.25   4.770     48
       1896.48   4.746   1000
       1890.75   4.732    968
       1010.25   2.528    242
       1004.27   2.513    549
        998.17   2.498    214
    

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    1H NMR 89.56 MHz
    C7 H7 Cl O 0.042 g : 0.5 ml CDCl3
    o-chlorobenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.45 B 7.38 to 7.05 C 4.737 D 2.38

         Hz     ppm     Int.
    

        672.50   7.509     66
        671.94   7.503     70
        668.63   7.466    110
        667.50   7.454     80
        665.19   7.428    108
        664.38   7.419    122
        663.50   7.409    197
        662.81   7.401    203
        660.25   7.373     83
        659.50   7.364     59
        657.50   7.342    148
        655.69   7.322    144
        653.88   7.302    332
        653.06   7.292    259
        651.69   7.277    450
        650.38   7.262    406
        648.75   7.244    234
        646.50   7.219    397
        643.81   7.189     95
        642.13   7.170    114
        641.31   7.161    101
        424.50   4.740   1000
        424.06   4.735    999
        212.94   2.378    982
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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