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6850-38-0

2-氨基环己醇(6850-38-0)核磁图(1HNMR)

产品名称:2-氨基环己醇

CAS:6850-38-0

分子式:C6H13NO

分子量: 115.17

InChI:InChI=1S/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2

InChIKey: PQMCFTMVQORYJC-UHFFFAOYSA-N

Smiles:C1(O)CCCCC1N

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    Mass

    MS-IW-4891          
    2-aminocyclohexanol
    C6H13NO             (Mass of molecular ion:    115)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.0
          18.0       5.2
          27.0       5.0
          28.0       9.0
          29.0       4.1
          30.0      21.9
          31.0       2.0
          39.0       4.9
          41.0      10.1
          42.0       6.5
          43.0      34.9
          44.0       7.0
          45.0       2.8
          53.0       1.5
          54.0       2.7
          55.0       3.1
          56.0     100.0
          57.0       9.0
          59.0       6.3
          67.0       2.4
          68.0       2.3
          69.0       5.1
          70.0       9.1
          72.0      18.2
          73.0       2.0
          79.0       1.9
          80.0       1.1
          82.0       2.1
          86.0       4.5
          96.0       1.5
          97.0       1.4
          98.0       2.0
         114.0       1.2
         115.0      36.8
         116.0       2.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H13 N O 0.040 g : 0.5 ml CDCl3
    2-aminocyclohexanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.126 B 2.52 C 2.450 D 1.947 E 1.847 F 1.72 G 1.66 J 1.30 to 1.23 K 1.116 ASSIGNED BY H-H AND C-H COSY. J(A,C)=9.3HZ J(A,D)=4.6HZ J(C,K)=10.9HZ J(C,E)=4.2HZ

         Hz     ppm     Int.
    

       1261.60   3.157    129
       1256.96   3.146    138
       1252.32   3.134    266
       1247.07   3.121    226
       1242.31   3.109    178
       1237.79   3.098    128
       1006.47   2.519    212
        990.72   2.479    248
        986.69   2.469    240
        979.37   2.451    279
        977.78   2.447    272
        970.46   2.429    189
        966.43   2.419    170
        958.37   2.399     40
        957.89   2.397     38
        956.67   2.394     36
        955.08   2.390     33
        954.59   2.389     32
        953.61   2.387     31
        787.60   1.971    115
        785.77   1.967    122
        782.59   1.959    226
        781.37   1.956    256
        778.32   1.948    241
        776.73   1.944    207
        775.27   1.940    178
        773.32   1.935    216
        772.22   1.933    197
        768.92   1.924    127
        747.44   1.871    159
        745.24   1.865    225
        744.51   1.863    224
        741.46   1.856    180
        738.28   1.848    109
        737.92   1.847    108
        735.11   1.840    182
        731.93   1.832    248
        730.83   1.829    236
        728.76   1.824    175
        701.78   1.756     31
        701.17   1.755     31
        693.48   1.736    122
        688.35   1.723    258
        684.81   1.714    295
        682.74   1.709    297
        675.17   1.690    131
        671.02   1.680    195
        669.56   1.676    211
        666.63   1.669    225
        665.53   1.666    229
        662.23   1.658    220
        657.47   1.646    178
        532.71   1.333     35
        529.66   1.326     30
        526.86   1.319     30
        525.15   1.315     45
        520.26   1.302    117
        517.09   1.294    129
        514.04   1.287    238
        510.25   1.277    591
        502.56   1.258   1000
        495.97   1.242    277
        495.00   1.239    297
        492.43   1.233    297
        490.48   1.228    254
        486.21   1.217     86
        485.84   1.216     86
        483.64   1.211     54
        482.18   1.207     60
        479.86   1.201     73
        478.39   1.198     77
        464.11   1.162    103
        460.82   1.154    100
        459.23   1.150     73
        457.52   1.145     56
        452.64   1.133    171
        451.54   1.130    186
        449.58   1.125    161
        448.00   1.121    184
        440.19   1.102    184
        436.52   1.093    159
        431.76   1.081     52
        430.30   1.077     56
        427.49   1.070     66
        423.95   1.061     54
    

in CDCl3

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KBr disc

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nujol mull

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