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78-83-1

异丁醇(78-83-1)核磁图(13CNMR)

产品名称:异丁醇

CAS:78-83-1

分子式:C4H10O

分子量: 74.12

InChI:InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

InChIKey: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

Smiles:C(O)C(C)C

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    Mass

    MS-NW-0099          
    2-methyl-1-propanol 
    C4H10O              (Mass of molecular ion:     74)
    

       Source Temperature: 240 °C
       Sample Temperature:  95 °C
       Reservoir, 75 eV
    

          15.0       1.5
          18.0       3.4
          26.0       1.6
          27.0      23.0
          28.0      12.4
          29.0       8.0
          31.0      39.7
          32.0       3.6
          33.0      46.3
          38.0       2.1
          39.0      14.1
          40.0       2.8
          41.0      57.3
          42.0      59.4
          43.0     100.0
          44.0       3.2
          45.0       3.6
          55.0       5.5
          56.0       4.6
          57.0       2.8
          59.0       5.9
          73.0       3.1
          74.0      13.3
    

90 MHz in CDCl3

in CDCl3

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    1H NMR 89.56 MHz
    C4 H10 O 0.04 ml : 0.5 ml CDCl3
    2-methyl-1-propanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.391 B 2.07 C 1.75 D 0.920 J(A,C)=6.5HZ. J(C,D)=6.4HZ.

         Hz     ppm     Int.
    

        307.06   3.429    500
        300.63   3.357    554
        186.31   2.081    121
        185.19   2.068    255
        164.56   1.838     44
        158.00   1.765     49
        157.63   1.761     48
        151.19   1.689     55
        144.69   1.616     40
         85.13   0.951   1000
         78.69   0.879    740
    

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in CDCl3

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CCl4 solution

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liquid film

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4880 A,100M,liquid

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