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111-75-1

2-丁氨基乙醇(111-75-1)红外图谱(IR1)

产品名称:2-丁氨基乙醇

CAS:111-75-1

分子式:C6H15NO

分子量: 117.19

InChI:InChI=1S/C6H15NO/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3

InChIKey: LJDSTRZHPWMDPG-UHFFFAOYSA-N

Smiles:C(O)CNCCCC

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    Mass

    MS-NW-2114          
    2-(butylamino)ethanol
    C6H15NO             (Mass of molecular ion:    117)
    

       Source Temperature: 250 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       4.4
          17.0       1.3
          18.0       6.8
          19.0       1.0
          26.0       1.5
          27.0      13.3
          28.0      13.9
          29.0      31.1
          30.0      89.4
          31.0       3.2
          39.0       5.8
          40.0       1.1
          41.0      25.0
          42.0      17.6
          43.0      10.6
          44.0      61.0
          45.0       9.4
          53.0       1.1
          54.0       1.5
          55.0       5.1
          56.0      48.1
          57.0      26.3
          58.0       1.9
          60.0       3.7
          70.0       2.2
          71.0       1.2
          72.0       2.0
          74.0      73.6
          75.0       2.9
          84.0       3.8
          86.0     100.0
          87.0       6.1
          98.0       2.7
          99.0       2.0
         116.0       2.1
         117.0       7.4
         128.0       2.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H15 N O 0.04 ml : 0.5 ml CDCl3
    2-(butylamino)ethanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.65 B 2.99 C 2.74 D 2.62 E 1.48 F 1.35 G 0.93

         Hz     ppm     Int.
    

        332.19   3.710    399
        328.94   3.673    132
        327.13   3.653    503
        325.88   3.639    289
        324.56   3.624    135
        321.75   3.593    535
        267.69   2.989   1000
        250.63   2.799    538
        247.81   2.767    151
        246.50   2.753    297
        245.31   2.740    519
        243.38   2.718    161
        240.31   2.684    483
        234.56   2.620    373
        230.44   2.574     70
        227.63   2.542    262
        143.06   1.598     37
        141.13   1.576     77
        138.81   1.550    108
        137.63   1.537     57
        135.69   1.516    133
        134.81   1.506    142
        132.75   1.483    254
        131.31   1.467    176
        129.44   1.446    298
        128.25   1.433    297
        126.50   1.413    246
        125.31   1.400    329
        123.25   1.377    207
        122.19   1.365    224
        119.25   1.332    126
        118.44   1.323    119
        117.13   1.308    109
        116.56   1.302    101
        115.81   1.294    115
        113.75   1.271     64
        110.38   1.233     82
        109.81   1.227     85
        108.00   1.206     47
        104.00   1.162     40
        102.81   1.148     46
         89.75   1.003    222
         88.88   0.993    343
         82.50   0.922    755
         80.00   0.894    196
         78.50   0.877    153
         76.50   0.855    111
         75.06   0.839    140
         73.00   0.816     70
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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