27489-62-9

反式-4-氨基環(huán)己醇(27489-62-9)質(zhì)譜(MS)

產(chǎn)品名稱:反式-4-氨基環(huán)己醇

CAS:27489-62-9

分子式:C6H13NO

分子量: 115.17

InChI:InChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2/t5-,6-

InChIKey: IMLXLGZJLAOKJN-IZLXSQMJSA-N

Smiles:[C@@H]1(O)CC[C@@H](N)CC1

Mass

MS-IW-9192          
trans-4-aminocyclohexanol
C6H13NO             (Mass of molecular ion:    115)

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

      18.0       3.4
      27.0       3.4
      28.0       6.5
      29.0       2.8
      30.0       5.7
      31.0       1.7
      39.0       2.9
      41.0       6.2
      42.0       5.5
      43.0      34.8
      44.0       2.3
      53.0       1.0
      54.0       2.0
      55.0       2.3
      56.0     100.0
      57.0      25.8
      58.0       1.4
      59.0       1.7
      68.0       5.5
      69.0       4.8
      77.0       1.0
      79.0       1.3
      81.0       1.0
      82.0       1.3
      96.0       1.6
      97.0       2.4
      98.0       1.3
     115.0       5.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₃ N O	0.039 g : 0.5 ml CDCl₃
trans-4-aminocyclohexanol

    Assign.     Shift(ppm)

      A             3.545
      B             2.665
      C             1.920
      D             1.840
      E             1.300
      F             1.153

     Hz     ppm     Int.

   1431.52   3.582    272
   1427.25   3.572    519
   1423.10   3.561    322
   1420.90   3.556    534
   1416.63   3.545    977
   1412.35   3.534    531
   1410.28   3.529    309
   1406.01   3.519    490
   1401.61   3.508    249
   1080.44   2.704    256
   1076.42   2.694    494
   1072.39   2.684    307
   1069.46   2.676    543
   1065.55   2.667   1000
   1061.52   2.657    551
   1058.47   2.649    328
   1054.57   2.639    561
   1050.78   2.630    296
    776.00   1.942    738
    773.93   1.937    769
    772.83   1.934    765
    771.97   1.932    773
    768.31   1.923    578
    766.97   1.920    580
    763.31   1.910    809
    762.21   1.908    836
    761.23   1.905    853
    759.03   1.900    827
    755.74   1.892    412
    754.76   1.889    386
    751.95   1.882    183
    749.51   1.876    363
    748.41   1.873    393
    745.97   1.867    713
    744.87   1.864    757
    743.29   1.860    841
    742.55   1.859    826
    741.21   1.855    737
    739.87   1.852    674
    737.06   1.845    519
    735.96   1.842    529
    733.28   1.835    760
    731.81   1.832    798
    730.47   1.828    862
    728.27   1.823    724
    727.05   1.820    647
    542.97   1.359    359
    539.43   1.350    335
    529.66   1.326    859
    526.12   1.317    717
    518.55   1.298    771
    516.85   1.294    832
    516.24   1.292    824
    515.50   1.290    876
    513.55   1.285    573
    506.23   1.267    447
    502.93   1.259    467
    478.27   1.197    523
    475.10   1.189    495
    467.41   1.170    611
    465.33   1.165    968
    464.23   1.162    875
    462.16   1.157    748
    454.47   1.138    754
    452.15   1.132    702
    451.05   1.129    831
    441.28   1.105    295
    437.74   1.096    285

in CDCl3