6484-25-9

4-氯-2-苯基喹唑啉(6484-25-9)核磁图(¹³CNMR)

产品名称:4-氯-2-苯基喹唑啉

CAS:6484-25-9

分子式:C14H9ClN2

分子量: 240.69

InChI:InChI=1S/C14H9ClN2/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h1-9H

InChIKey: OBHKONRNYCDRKM-UHFFFAOYSA-N

Smiles:N1=C2C(C=CC=C2)=C(Cl)N=C1C1=CC=CC=C1

Mass

MS-NW-7040          
4-chloro-2-phenylquinazoline
C14H9ClN2           (Mass of molecular ion:    240)

   Source Temperature: 190 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       4.1
      27.0       1.2
      39.5       1.7
      50.0       4.8
      51.0       9.4
      52.0       1.8
      63.0       1.4
      74.0       1.7
      75.0       8.8
      76.0       8.3
      77.0      19.1
      78.0       1.5
      89.0       1.0
     100.0       1.0
     102.0      19.8
     102.5       1.6
     103.0       5.0
     104.0       3.0
     119.0       2.3
     120.0       5.6
     120.5       1.1
     121.0       1.9
     151.0       1.7
     177.0       2.0
     205.0     100.0
     206.0      16.0
     207.0       1.3
     222.0       1.8
     240.0      39.6
     241.0       6.6
     242.0      13.4
     243.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₉ Cl N₂	0.042 g : 0.5 ml CDCl₃
4-chloro-2-phenylquinazoline

    Assign.     Shift(ppm)

      A             8.575
      B             8.194
      C             8.049
      D             7.879
      E             7.604
      F             7.51

     Hz     ppm     Int.

   3436.28   8.599     39
   3431.70   8.587    387
   3430.79   8.585    300
   3429.57   8.582    276
   3427.43   8.577    431
   3424.22   8.569    474
   3421.94   8.563    437
   3418.43   8.554     75
   3279.42   8.206    283
   3278.66   8.204    289
   3274.99   8.195     36
   3271.18   8.186    308
   3270.42   8.184    310
   3221.59   8.062    304
   3213.20   8.041    382
   3157.20   7.900    185
   3155.82   7.897    190
   3150.33   7.883    233
   3148.80   7.879    339
   3147.43   7.876    185
   3141.78   7.862    176
   3140.41   7.858    170
   3046.88   7.624    203
   3045.81   7.622    214
   3039.86   7.607    216
   3038.64   7.604    343
   3037.57   7.601    231
   3031.62   7.586    177
   3030.55   7.584    178
   3014.37   7.543     42
   3013.31   7.540     40
   3012.70   7.539     38
   3008.42   7.528    170
   3006.90   7.524    188
   3004.91   7.519    574
   3003.69   7.516    574
   3000.34   7.508    882
   2997.89   7.502   1000
   2994.23   7.493    140
   2990.88   7.484     40

in CDCl3