3254-89-5

鹽酸地芬尼多(3254-89-5)紅外圖譜(IR2)

分子式:C21H27NO

分子量: 309.45

InChI:InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2

InChIKey: OGAKLTJNUQRZJU-UHFFFAOYSA-N

Smiles:C(O)(CCCN1CCCCC1)(C1=CC=CC=C1)C1C=CC=CC=1

Mass

MS-IW-3663          
1,1-diphenyl-4-piperidino-1-butanol hydrochloride
C21H27NO HCl        (Mass of molecular ion:    309)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       1.8
      36.0       3.2
      38.0       1.1
      41.0       3.5
      42.0       2.8
      44.0       1.7
      55.0       3.4
      56.0       1.0
      69.0       1.7
      70.0       1.8
      77.0       4.1
      84.0       3.3
      85.0       1.1
      91.0       2.3
      96.0       5.5
      97.0       1.0
      98.0     100.0
      99.0       7.7
     105.0       5.1
     111.0       2.4
     115.0       1.1
     127.0       7.0
     129.0       1.4
     147.0       1.7
     232.0       2.2
     309.0       2.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₁ H₂₇ N O	0.034 g : 0.5 ml DMSO-d₆
1,1-diphenyl-4-piperidino-1-butanol hydrochloride

    Assign.     Shift(ppm)

      A            10.4
      B             7.463
      C             7.278
      D             7.167
      E             5.73
      F             3.235
      G             2.971
      J             2.737
      K             2.326
      L             1.797
      M             1.70
      N             1.65
      P             1.62
      R             1.330
     
     ASSIGNED BY CH-COSY

     Hz     ppm     Int.

   4172.97  10.442     58
   2988.28   7.478    624
   2987.06   7.475    855
   2979.89   7.457    967
   2978.82   7.454    949
   2916.56   7.298    551
   2909.09   7.280   1000
   2901.15   7.260    637
   2871.40   7.185    201
   2870.33   7.183    379
   2869.11   7.180    269
   2864.69   7.168    181
   2863.01   7.164    537
   2856.90   7.149    126
   2855.68   7.146    216
   2854.61   7.143    143
   2290.04   5.731    475
   1299.44   3.252    160
   1287.69   3.223    181
   1197.66   2.997     91
   1190.19   2.979    168
   1185.15   2.966    172
   1177.37   2.947     95
   1109.01   2.775     62
   1099.24   2.751    148
   1087.34   2.721    144
   1077.73   2.697     55
    937.81   2.347    170
    930.18   2.328    204
    922.24   2.308    191
    740.66   1.854     36
    737.46   1.846     32
    737.15   1.845     32
    726.78   1.819    108
    714.26   1.788    141
    705.57   1.766     62
    705.26   1.765     62
    702.06   1.757     65
    680.85   1.704    200
    664.22   1.663    197
    650.48   1.628    207
    646.51   1.618    237
    630.95   1.579     47
    535.43   1.340     72
    526.12   1.317     47
    522.92   1.309     63
    519.71   1.301     41

in DMSO-d6