17784-47-3

鹽酸丫啶(17784-47-3)質(zhì)譜(MS)

產(chǎn)品名稱:鹽酸丫啶

CAS:17784-47-3

分子式:C13H10ClN

分子量: 215.68

InChI:InChI=1S/C13H9N.ClH/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-9H;1H

InChIKey: XUESTGHCVFYOLL-UHFFFAOYSA-N

Smiles:C12C=CC=CC1=NC1=CC=CC=C1C=2.Cl

¹HNMR

IR1

IR2

Mass

MS-NW-0252          
acridine hydrochloride
C13H9N HCl          (Mass of molecular ion:    179)

   Source Temperature: 160 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      17.0       1.7
      18.0       8.4
      36.0       4.2
      38.0       1.3
      39.0       1.2
      50.0       1.9
      51.0       1.8
      62.0       1.1
      63.0       3.0
      74.0       1.7
      75.0       3.9
      75.5       1.8
      76.0       4.5
      77.0       1.0
      87.0       1.0
      88.5       1.0
      89.0       8.6
      89.5       8.2
      90.0       1.1
     101.0       1.1
     125.0       1.3
     126.0       2.0
     127.0       1.7
     150.0       3.1
     151.0       7.0
     152.0       6.9
     153.0       4.2
     176.0       1.0
     177.0       5.8
     178.0      15.8
     179.0     100.0
     180.0      14.0
     181.0       1.2

90 MHz in D2O

400 MHz in D2O (at 60.9C)

¹H NMR	89.56 MHz
C₁₃ H₉ N	0.043 g : 0.5 ml D₂O
acridine hydrochloride

    Assign.     Shift(ppm)

      A             8.607
      B             7.74
      C             7.56
      D             7.47
      E             7.39
     
     400MHZ : HSP-42-318
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

    770.63   8.605    660
    703.00   7.850    214
    701.31   7.831    249
    696.38   7.776    367
    694.88   7.759    501
    692.31   7.731    420
    688.00   7.683    477
    686.19   7.662    600
    683.31   7.630    336
    675.94   7.548   1000
    668.81   7.468    535
    667.81   7.457    754
    663.63   7.410    813
    662.50   7.398    854
    661.25   7.384    513
    660.25   7.373    380
    658.88   7.357    183
    655.31   7.317    533
    654.38   7.307    499

¹H NMR	399.65 MHz
C₁₃ H₉ N	0.036 g : 0.5 ml D₂O at 60C
acridine hydrochloride

    Assign.     Shift(ppm)

      A             8.850
      B             7.897
      C             7.794
      D             7.632
      E             7.546
     
     THE SOLVENT PEAK REMOVED.

     Hz     ppm     Int.

   3536.99   8.851    813
   3168.58   7.929     43
   3167.60   7.926     50
   3164.92   7.920    417
   3163.57   7.916    492
   3158.20   7.903    499
   3156.25   7.898    724
   3154.79   7.894    614
   3149.41   7.881    532
   3148.07   7.878    609
   3128.17   7.828     33
   3127.69   7.827     35
   3127.32   7.826     37
   3119.87   7.807    731
   3119.14   7.805    720
   3115.72   7.797     89
   3114.75   7.794     95
   3111.33   7.786    859
   3110.72   7.784    827
   3064.94   7.670     30
   3064.58   7.669     30
   3063.48   7.666     32
   3062.87   7.664     33
   3062.38   7.663     35
   3061.77   7.662     39
   3061.40   7.661     41
   3060.67   7.659     48
   3054.57   7.644    863
   3053.83   7.642   1000
   3050.05   7.632     80
   3049.32   7.630     78
   3045.90   7.622    738
   3045.04   7.620    840
   3041.14   7.610     37
   3040.77   7.609     33
   3040.28   7.608     30
   3031.86   7.587     30
   3031.49   7.586     32
   3031.25   7.585     32
   3030.76   7.584     33
   3029.91   7.582     35
   3029.54   7.581     37
   3028.56   7.579     46
   3026.73   7.574     61
   3023.32   7.565    558
   3022.46   7.563    609
   3019.17   7.555     89
   3016.60   7.549    551
   3015.14   7.545    694
   3014.04   7.542    579
   3010.74   7.534     58
   3009.89   7.532     61
   3008.06   7.527    421
   3007.20   7.525    456

KBr disc