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

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

¹H NMR	399.65 MHz
C₆ H₁₃ N O	0.040 g : 0.5 ml CDCl₃
2-aminocyclohexanol

    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