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10297-06-0

6-氯己炔(10297-06-0)核磁图(1HNMR)

产品名称:6-氯己炔

CAS:10297-06-0

分子式:C6H9Cl

分子量: 116.59

InChI:InChI=1S/C6H9Cl/c1-2-3-4-5-6-7/h1H,3-6H2

InChIKey: ZUKOCGMVJUXIJA-UHFFFAOYSA-N

Smiles:C#CCCCCCl

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    Mass

    MS-IW-9311          
    6-chloro-1-hexyne
    C6H9Cl              (Mass of molecular ion:    116)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       5.0
          27.0      38.6
          28.0       5.9
          29.0       3.6
          36.0       4.4
          37.0       4.2
          38.0      10.3
          39.0      71.1
          40.0      33.9
          41.0      99.8
          42.0       5.5
          49.0      12.8
          50.0      12.1
          51.0      20.9
          52.0      28.5
          53.0      44.3
          54.0      56.6
          55.0       9.1
          61.0       2.3
          62.0       3.3
          63.0       5.1
          64.0       1.1
          65.0      21.5
          66.0       3.8
          67.0      42.1
          68.0       8.2
          73.0       1.3
          74.0       2.4
          75.0      10.4
          76.0       3.2
          77.0      17.6
          78.0       5.0
          79.0      59.1
          80.0       8.1
          81.0      74.4
          82.0       4.8
          88.0     100.0
          89.0       4.8
          90.0      32.3
          91.0       5.6
         101.0       4.3
         103.0       1.7
         105.0       1.6
         115.0       1.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H9 Cl 0.05 ml : 0.5 ml CDCl3
    6-chloro-1-hexyne
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.572 B 2.242 C 1.981 D 1.908 E 1.684

         Hz     ppm     Int.
    

       1434.20   3.589    605
       1427.61   3.573   1000
       1421.02   3.556    597
        904.66   2.264    305
        901.98   2.257    313
        897.71   2.247    586
        895.02   2.240    597
        890.63   2.229    338
        888.06   2.223    353
        794.31   1.988    431
        791.63   1.981    723
        788.94   1.975    386
        776.37   1.943    133
        769.90   1.927    263
        769.29   1.925    280
        766.60   1.919    106
        762.70   1.909    324
        761.23   1.905    223
        760.13   1.902    200
        754.52   1.888    337
        748.05   1.872    165
        687.87   1.722    136
        687.38   1.720    137
        680.54   1.703    328
        675.05   1.690    165
        672.73   1.684    364
        667.97   1.672     94
        665.53   1.666    294
        658.94   1.649    105
        658.20   1.647     99
    

in CDCl3

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liquid film

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