449-55-8

6,11-DIHYDRO-5H-DIBENZO[B,E]AZEPINE(449-55-8)核磁圖(¹³CNMR)

產(chǎn)品名稱:6,11-DIHYDRO-5H-DIBENZO[B,E]AZEPINE

CAS:449-55-8

分子式:C14H13N

分子量: 195.26

InChI:InChI=1S/C14H13N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-8,15H,9-10H2

InChIKey: YSHVGIKWUJCBLY-UHFFFAOYSA-N

Smiles:N1CC2=CC=CC=C2CC2=CC=CC=C12

Mass

MS-NW-6329          
6,11-dihydro-5H-dibenz(b,E)azepine
C14H13N             (Mass of molecular ion:    195)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      17.0       2.4
      18.0      11.0
      27.0       1.5
      38.0       1.2
      39.0       5.5
      43.0       1.1
      50.0       3.1
      51.0       5.5
      52.0       1.5
      62.0       2.4
      63.0       6.0
      64.0       1.9
      65.0       3.5
      66.0       3.3
      69.0       1.2
      69.5       3.4
      70.0       1.3
      70.5       1.6
      74.0       1.9
      75.0       2.2
      76.0       2.4
      77.0       4.6
      78.0       1.4
      81.0       1.3
      81.5       2.9
      82.0       6.0
      82.5       7.9
      83.0       2.8
      83.5       8.6
      84.0       1.7
      86.0       1.0
      87.0       1.8
      88.0       1.3
      89.0       6.0
      90.0       5.8
      91.0       4.5
      95.5       6.6
      96.0       2.2
      96.5      13.3
      97.0       3.3
      97.5       3.7
      98.0       1.2
     101.0       1.0
     102.0       1.2
     113.0       1.4
     114.0       1.1
     115.0       4.2
     116.0       6.1
     117.0       4.7
     118.0      12.1
     119.0       1.3
     126.0       1.2
     127.0       1.4
     128.0       2.6
     139.0       5.3
     140.0       2.4
     141.0       1.0
     149.0       1.0
     150.0       1.4
     151.0       2.3
     152.0       5.4
     153.0       2.0
     154.0       1.1
     163.0       5.1
     164.0       6.1
     165.0      27.8
     166.0       9.0
     167.0       7.0
     168.0       1.9
     176.0       2.0
     177.0       5.2
     178.0      13.2
     179.0      10.4
     180.0       6.2
     190.0       6.6
     191.0       9.0
     192.0      31.2
     193.0      92.4
     194.0     100.0
     195.0      78.0
     196.0      11.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₄ H₁₃ N	0.038 g : 0.5 ml DMSO-d₆
6,11-dihydro-5H-dibenz(b,e)azepine

    Assign.     Shift(ppm)

      A             7.20
      B             6.887
      C             6.813
      D             6.38
      E             6.37
      F             5.89
      G             4.398
      J             4.095

     Hz     ppm     Int.

   2891.60   7.236     30
   2889.40   7.230     57
   2888.18   7.227    103
   2886.35   7.223    123
   2885.01   7.219    213
   2882.20   7.212    174
   2879.15   7.205    513
   2877.20   7.200    680
   2875.98   7.197   1000
   2875.24   7.195    775
   2873.54   7.191    313
   2871.83   7.186    279
   2870.73   7.184    212
   2869.63   7.181    110
   2866.58   7.173    136
   2755.37   6.895    181
   2747.92   6.876    188
   2731.57   6.835    116
   2729.98   6.831    111
   2724.24   6.817    179
   2723.63   6.816    185
   2722.41   6.812    197
   2716.43   6.798    139
   2714.72   6.793    121
   2558.11   6.401    139
   2556.88   6.398    183
   2549.68   6.380    643
   2543.46   6.365    112
   2541.75   6.360    330
   2357.79   5.900     92
   2352.66   5.887    173
   2349.73   5.880     64
   2347.66   5.875     90
   1760.50   4.406    604
   1755.37   4.393    600
   1636.60   4.096    910

in DMSO-d6