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5259-98-3

5-氯-1-戊醇(5259-98-3)质谱(MS)

产品名称:5-氯-1-戊醇

CAS:5259-98-3

分子式:C5H11ClO

分子量: 122.59

InChI:InChI=1S/C5H11ClO/c6-4-2-1-3-5-7/h7H,1-5H2

InChIKey: DCBJCKDOZLTTDW-UHFFFAOYSA-N

Smiles:C(O)CCCCCl

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    Mass

    MS-NW-7635          
    5-chloro-1-pentanol
    C5H11ClO            (Mass of molecular ion:    122)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       2.3
          17.0       1.3
          18.0       5.9
          19.0       1.4
          26.0       3.7
          27.0      28.8
          28.0      20.5
          29.0      30.6
          30.0       2.0
          31.0      56.8
          36.0       2.5
          38.0       1.7
          39.0      19.6
          40.0       5.5
          41.0      78.8
          42.0      35.3
          43.0      10.5
          44.0      14.9
          45.0      18.7
          49.0       4.7
          50.0       1.0
          51.0       1.8
          53.0       7.5
          54.0       5.7
          55.0     100.0
          56.0      58.6
          57.0      13.4
          58.0       3.9
          62.0       2.4
          63.0       7.2
          65.0       2.5
          67.0      17.7
          68.0      82.9
          69.0      26.2
          70.0       1.7
          71.0       1.4
          75.0       2.7
          76.0       5.2
          77.0       1.2
          78.0       1.6
          85.0      11.6
          86.0       9.4
          87.0       1.5
          90.0       1.2
          91.0      22.3
          92.0       1.5
          93.0       7.5
         104.0       2.4
         105.0       3.0
         107.0       1.0
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C5 H11 Cl O 0.05 ml : 0.5 ml DMSO-d6
    5-chloro-1-pentanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.77 B 3.618 C 3.398 D 1.720 E 1.42

         Hz     ppm     Int.
    

       1906.37   4.771   1000
       1452.76   3.636    324
       1446.17   3.619    603
       1439.45   3.602    304
       1364.26   3.414    187
       1358.40   3.399    444
       1352.42   3.385    239
        701.17   1.755     58
        694.46   1.738    169
        687.50   1.721    235
        680.79   1.704    166
        673.95   1.687     53
        590.33   1.478     32
        587.65   1.471     38
        580.93   1.454     93
        572.02   1.432    407
        569.09   1.424    395
        565.67   1.416    355
        560.67   1.403    174
        556.88   1.394     94
        553.34   1.385     61
    

in DMSO-d6

in CDCl3

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liquid film

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4880 A,200 M,liquid

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