14224-99-8

2-甲基-4,5-二苯唑(14224-99-8)质谱(MS)

产品名称:2-甲基-4,5-二苯唑

CAS:14224-99-8

分子式:C16H13NO

分子量: 235.28

InChI:InChI=1S/C16H13NO/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11H,1H3

InChIKey: QLQIWRCWPJRJJA-UHFFFAOYSA-N

Smiles:O1C(C2=CC=CC=C2)=C(C2=CC=CC=C2)N=C1C

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-7437          
2-methyl-4,5-diphenyloxazole
C16H13NO            (Mass of molecular ion:    235)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.4
      27.0       3.5
      38.0       1.0
      39.0       7.6
      43.0       4.1
      50.0       4.7
      51.0      16.5
      52.0       1.8
      62.0       3.5
      63.0      10.9
      64.0       1.3
      69.5       1.4
      74.0       1.7
      75.0       2.1
      76.0       3.3
      77.0      31.1
      78.0       5.6
      81.5       1.1
      82.0       1.8
      82.5       2.7
      83.0       1.9
      86.0       1.0
      87.0       1.6
      88.0       1.8
      89.0       8.4
      90.0       1.2
     102.0       1.4
     103.0       7.6
     104.0      36.1
     105.0      21.2
     106.0       1.9
     115.0       3.1
     117.5       3.3
     128.0       1.5
     129.0       1.2
     130.0       2.2
     132.0       1.7
     139.0       4.5
     158.0       1.1
     163.0       5.0
     164.0       7.5
     165.0      84.1
     166.0      33.4
     167.0       4.1
     192.0       1.2
     193.0       1.6
     206.0      23.1
     207.0      34.0
     208.0       5.7
     234.0       5.5
     235.0     100.0
     236.0      17.7
     237.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₁₃ N O	0.05 ml : 0.5 ml CDCl₃
2-methyl-4,5-diphenyloxazole

    Assign.     Shift(ppm)

      A             7.636
      B             7.562
      C          7.34 to 7.28
      D             2.512

     Hz     ppm     Int.

   3057.13   7.650    153
   3055.66   7.646    197
   3053.47   7.641     63
   3050.42   7.633    107
   3048.83   7.629    215
   3047.49   7.626    184
   3045.17   7.620     34
   3027.47   7.576    157
   3025.88   7.572    172
   3023.68   7.566     63
   3020.75   7.559     98
   3019.17   7.555    198
   3017.70   7.551    185
   3015.26   7.545     34
   2941.16   7.360     62
   2939.45   7.356     90
   2937.74   7.351     48
   2933.35   7.340    161
   2932.62   7.338    228
   2931.03   7.334    151
   2929.32   7.330     82
   2928.83   7.329     95
   2926.64   7.324    107
   2925.17   7.320    181
   2924.56   7.318    170
   2922.97   7.314    167
   2922.24   7.312    231
   2920.78   7.309    114
   2919.92   7.307    142
   2918.33   7.303    151
   2916.38   7.298    123
   2914.92   7.294    179
   2914.31   7.293    170
   2912.72   7.289    112
   2911.13   7.285    242
   2909.55   7.281    106
   2908.08   7.277     49
   2906.98   7.274     56
   2903.93   7.267    123
   2900.39   7.258     30
   2896.85   7.249     32
   1004.03   2.513   1000
    999.88   2.502     37

in CDCl3