298-46-4

卡馬西平(298-46-4)質(zhì)譜(MS)

產(chǎn)品名稱:卡馬西平

CAS:298-46-4

分子式:C15H12N2O

分子量: 236.27

InChI:InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)

InChIKey: FFGPTBGBLSHEPO-UHFFFAOYSA-N

Smiles:N1(C(N)=O)C2=CC=CC=C2C=CC2=CC=CC=C12

Mass

MS-IW-6351          
5H-dibenz(b,f)azepine-5-carboxamide
C15H12N2O           (Mass of molecular ion:    236)

   Source Temperature: 170 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      43.0       3.0
      63.0       1.2
      81.5       1.1
      82.0       1.4
      82.5       1.7
      83.5       3.7
      89.0       1.5
      95.5       4.9
      96.0       1.2
      96.5       4.8
     139.0       1.6
     140.0       1.3
     152.0       1.0
     163.0       2.2
     164.0       2.7
     165.0      10.7
     166.0       4.0
     167.0       4.8
     177.0       1.2
     178.0       2.0
     189.0       1.0
     190.0       6.9
     191.0      14.1
     192.0      28.4
     193.0     100.0
     194.0      15.4
     195.0       1.2
     236.0      21.5
     237.0       3.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₁₂ N₂ O	0.038 g : 0.5 ml CDCl₃
5H-dibenz(b,f)azepine-5-carboxamide

    Assign.     Shift(ppm)

      A             7.444
      B             7.398
      C             7.339
      D             7.300
      E             6.908
      F             5.0

     Hz     ppm     Int.

   2981.08   7.460    186
   2979.98   7.457    202
   2973.27   7.440    432
   2972.05   7.437    435
   2964.11   7.417    271
   2962.28   7.413    288
   2959.96   7.407     31
   2957.28   7.400    328
   2955.44   7.396    387
   2954.47   7.393    163
   2949.34   7.380    167
   2947.51   7.376    216
   2939.21   7.355    153
   2937.62   7.351    198
   2931.76   7.336    428
   2929.93   7.332    361
   2923.34   7.315    340
   2921.88   7.312    329
   2916.50   7.298    264
   2915.16   7.295    284
   2914.31   7.293    181
   2908.81   7.279    114
   2907.35   7.275    112
   2760.99   6.909   1000
   1981.32   4.958     47

KBr disc