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5856-63-3

(R)-(-)-2-氨基-1-丁醇(5856-63-3)Raman光谱

分子式:C4H11NO

分子量: 89.14

InChI:InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3/t4-/m1/s1

InChIKey: JCBPETKZIGVZRE-SCSAIBSYSA-N

Smiles:C(O)[C@H](N)CC

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    Mass

    MS-NW-6447          
    (-)-2-amino-1-butanol
    C4H11NO             (Mass of molecular ion:     89)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       3.0
          18.0       4.9
          27.0       3.9
          28.0       7.9
          29.0       2.7
          30.0      14.8
          31.0       3.2
          39.0       2.8
          41.0      24.4
          42.0      14.7
          43.0       7.7
          44.0       2.0
          54.0       1.1
          56.0       4.4
          57.0       1.8
          58.0     100.0
          59.0       4.4
          60.0      18.9
          70.0       1.2
          72.0       1.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C4 H11 N O 0.05 ml : 0.5 ml CDCl3
    (-)-2-amino-1-butanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 3.560 B *1 3.270 C 2.93 D 2.729 E *2 1.447 F *2 1.288 G 0.941 J(A,B)=-10.8HZ J(A,D)=3.6HZ J(B,D)=7.6HZ J(E,F)=-15.0HZ J(E,D)=6.0HZ J(F,D)=7.6HZ

         Hz     ppm     Int.
    

       1430.05   3.579     99
       1426.39   3.570    101
       1419.43   3.552    116
       1415.65   3.543    113
       1315.67   3.293    209
       1307.98   3.273    230
       1305.05   3.266    186
       1297.24   3.246    193
       1172.73   2.935     83
       1172.36   2.934     83
       1172.00   2.933     83
       1103.15   2.761     52
       1099.24   2.751     60
       1097.41   2.746     70
       1095.46   2.742    100
       1093.63   2.737     79
       1091.80   2.732    102
       1089.84   2.727    104
       1087.89   2.723     78
       1086.06   2.718     97
       1084.23   2.713     66
       1082.28   2.709     57
       1078.49   2.699     45
        594.12   1.487     31
        592.29   1.483     68
        586.55   1.468     94
        584.72   1.464     81
        580.44   1.453     54
        578.86   1.449    145
        572.88   1.434    101
        571.17   1.430    119
        565.43   1.415     96
        563.72   1.411     48
        557.98   1.397     37
        535.64   1.341     33
        528.20   1.322    116
        520.63   1.303    179
        514.40   1.288    105
        513.31   1.285    140
        506.96   1.269    125
        499.63   1.251     86
        383.67   0.961    583
        376.10   0.942   1000
        368.65   0.923    516
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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