4-苯基-4-羥基哌啶(40807-61-2)質(zhì)譜(MS)

產(chǎn)品名稱:4-苯基-4-羥基哌啶

CAS:40807-61-2

分子式:C11H15NO

分子量: 177.24

InChI:InChI=1S/C11H15NO/c13-11(6-8-12-9-7-11)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2

InChIKey: KQKFQBTWXOGINC-UHFFFAOYSA-N

Smiles:N1CCC(C2=CC=CC=C2)(O)CC1

Mass

MS-IW-9831          
4-phenyl-4-piperidinol
C11H15NO            (Mass of molecular ion:    177)

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

      15.0       2.7
      17.0       3.0
      18.0      14.2
      27.0       6.0
      28.0      12.6
      29.0       6.0
      30.0      15.2
      39.0       6.5
      41.0       5.7
      42.0     100.0
      43.0      11.3
      44.0      10.1
      50.0       4.7
      51.0      13.7
      52.0       3.6
      53.0       4.3
      54.0       1.7
      55.0       3.2
      56.0      20.7
      57.0      21.4
      58.0       2.0
      60.0       1.1
      62.0       1.4
      63.0       5.2
      64.0       3.0
      64.5       1.0
      65.0       5.3
      68.0       5.3
      74.0       2.3
      75.0       2.6
      76.0       3.3
      77.0      18.4
      77.5       2.6
      78.0       6.6
      78.5       1.9
      79.0       2.1
      79.5       1.2
      80.0       6.1
      81.0       2.5
      82.0      28.3
      83.0       1.8
      89.0       2.6
      91.0      20.7
      92.0       2.3
     101.0       1.2
     102.0       6.2
     103.0       7.7
     104.0       5.3
     105.0       5.8
     106.0       1.6
     115.0      25.1
     116.0       6.4
     117.0       8.2
     118.0       2.0
     120.0       2.0
     126.0       1.3
     127.0       6.6
     128.0      12.5
     129.0      22.3
     130.0      33.7
     131.0      10.6
     132.0       2.3
     133.0       1.4
     141.0       2.1
     143.0       2.8
     144.0       3.3
     154.0       6.0
     155.0      16.3
     156.0       5.6
     157.0       1.8
     158.0      43.0
     159.0      77.1
     160.0      10.0
     176.0       1.1
     177.0       3.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₅ N O	0.039 g : 0.5 ml DMSO-d₆
4-phenyl-4-piperidinol

    Assign.     Shift(ppm)

      A             7.472
      B             7.309
      C             7.191
      D             4.9
      E             2.931
      F             2.710
      G             1.787
      J             1.504

     Hz     ppm     Int.

   2999.02   7.505     30
   2998.54   7.503     30
   2991.58   7.486    634
   2990.36   7.483    803
   2983.15   7.465    914
   2982.30   7.463    872
   2928.83   7.329    562
   2927.12   7.325    255
   2921.39   7.310   1000
   2913.45   7.291    598
   2880.98   7.209    223
   2879.76   7.206    362
   2878.66   7.203    241
   2872.56   7.188    514
   2866.33   7.173    133
   2865.23   7.170    200
   2864.14   7.167    125
   1184.33   2.964    239
   1182.01   2.958    265
   1172.36   2.934    540
   1169.92   2.928    534
   1160.16   2.903    345
   1157.96   2.898    308
   1089.97   2.728    403
   1079.35   2.701    310
    729.25   1.825    209
    724.73   1.814    226
    716.55   1.793    411
    712.28   1.783    394
    704.10   1.762    257
    699.58   1.751    226
    606.45   1.518    520
    594.48   1.488    420

in DMSO-d6