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3344-77-2

12-溴-1-十二烷醇(3344-77-2)红外图谱(IR2)

产品名称:12-溴-1-十二烷醇

CAS:3344-77-2

分子式:C12H25BrO

分子量: 265.23

InChI:InChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2

InChIKey: ASIDMJNTHJYVQJ-UHFFFAOYSA-N

Smiles:C(O)CCCCCCCCCCCBr

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    Mass

    MS-NW-9923          
    12-bromo-1-dodecanol
    C12H25BrO           (Mass of molecular ion:    264)
    

       Source Temperature: 260 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          17.0       5.0
          18.0      26.1
          27.0       7.1
          28.0       1.1
          29.0      14.3
          31.0       9.0
          39.0       6.9
          40.0       1.5
          41.0      54.7
          42.0      15.0
          43.0      35.2
          44.0       2.2
          45.0       1.7
          53.0       3.7
          54.0       9.0
          55.0      98.0
          56.0      29.4
          57.0      27.7
          58.0       1.4
          65.0       1.2
          66.0       1.1
          67.0      18.9
          68.0      32.9
          69.0     100.0
          70.0      23.9
          71.0       7.8
          73.0       2.4
          79.0       1.5
          80.0       1.2
          81.0      14.9
          82.0      26.4
          83.0      85.8
          84.0      13.0
          85.0       4.0
          95.0       8.3
          96.0       8.5
          97.0      74.1
          98.0       7.8
         107.0       2.4
         109.0       6.2
         110.0       2.7
         111.0      14.5
         112.0       2.4
         121.0       1.6
         123.0       4.5
         124.0       1.2
         125.0       4.7
         134.0       3.6
         135.0      12.4
         136.0       4.1
         137.0      12.0
         138.0       1.5
         139.0       1.4
         148.0      33.7
         149.0       4.4
         150.0      31.7
         151.0       3.7
         161.0       1.0
         162.0      17.3
         163.0       4.1
         164.0      17.0
         165.0       1.6
         176.0       4.3
         177.0       1.3
         178.0       4.0
         190.0       1.6
         192.0       1.3
         205.0       1.1
         218.0       2.5
         220.0       2.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C12 H25 Br O 0.031 g : 0.5 ml CDCl3
    12-bromo-1-dodecanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.633 B 3.408 C 1.852 D 1.563 E 1.54 F 1.42 G 1.28

         Hz     ppm     Int.
    

       1458.62   3.650    183
       1452.03   3.634    349
       1445.31   3.617    181
       1369.14   3.426    346
       1362.30   3.409    703
       1355.47   3.392    352
        754.64   1.889     77
        747.68   1.871    190
        745.24   1.865     51
        740.72   1.854    204
        732.91   1.834    197
        726.07   1.817     88
        638.67   1.599     38
        631.96   1.582    105
        624.63   1.563    152
        624.15   1.562    152
        617.31   1.545    238
        610.72   1.529     63
        575.20   1.440     83
        567.99   1.422    111
        560.67   1.403     89
        553.47   1.385     55
        551.15   1.380     40
        550.54   1.378     40
        544.19   1.362     81
        543.82   1.361     81
        542.11   1.357     83
        534.42   1.338    147
        525.39   1.315    286
        510.99   1.279   1000
    

in CDCl3

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KBr disc

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nujol mull

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