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127-00-4

1-氯-2-丙醇(127-00-4)红外图谱(IR1)

产品名称:1-氯-2-丙醇

CAS:127-00-4

分子式:C3H7ClO

分子量: 94.54

InChI:InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3

InChIKey: YYTSGNJTASLUOY-UHFFFAOYSA-N

Smiles:C(Cl)C(O)C

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    Mass

    MS-IW-1369          
    1-chloro-2-propanol
    C3H7ClO             (Mass of molecular ion:     94)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          15.0       4.9
          18.0       1.6
          19.0       6.3
          26.0       1.5
          27.0      12.8
          28.0       3.7
          29.0       7.1
          31.0      43.9
          36.0       1.7
          38.0       1.0
          39.0       3.5
          41.0       6.6
          42.0       1.9
          43.0      20.5
          44.0       1.7
          45.0     100.0
          46.0       3.2
          49.0       3.0
          51.0       1.0
          57.0       3.1
          58.0       2.6
          59.0       1.2
          62.0       4.2
          63.0       3.8
          64.0       1.4
          65.0       3.6
          77.0       1.6
          79.0      14.9
          81.0       4.8
          93.0       1.1
          95.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C3 H7 Cl O 0.05 ml : 0.5 ml CDCl3
    1-chloro-2-propanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.01 B *1 3.567 C *1 3.472 D 3.22 E 1.272 J(A,B)=4.0HZ J(A,C)=6.7HA J(B,C)=-11.0HZ

         Hz     ppm     Int.
    

       1608.28   4.025     41
       1605.10   4.017     52
       1602.17   4.009     60
       1598.75   4.001     54
       1595.95   3.994     44
       1592.41   3.985     31
       1434.33   3.589    181
       1430.30   3.579    177
       1423.34   3.562    294
       1419.31   3.552    275
       1395.39   3.492    384
       1388.67   3.475    337
       1384.40   3.465    246
       1377.69   3.448    237
       1284.67   3.215    100
        511.47   1.280   1000
        508.06   1.272     46
        505.13   1.264    959
    

in CDCl3

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CCl4 solution

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liquid film (CONTAINS ca 25% 2-CHLORO-1-PROPANOL)

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