N-芐基咪唑(4238-71-5)核磁圖(¹HNMR)

產(chǎn)品名稱:N-芐基咪唑

CAS:4238-71-5

分子式:C10H10N2

分子量: 158.2

InChI:InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2

InChIKey: KKKDZZRICRFGSD-UHFFFAOYSA-N

Smiles:C1N(CC2=CC=CC=C2)C=CN=1

Mass

MS2014-05047CW      
1-benzylimidazole
C10H10N2            (Mass of molecular ion:    158)

   Source Temperature: 240 °C
   Sample Temperature: 250 °C
   Direct, 70 eV

      18.0       1.1
      26.0       1.2
      27.0       1.5
      28.0       2.1
      39.0       5.8
      40.0       2.9
      41.0       1.7
      50.0       1.8
      51.0       4.4
      52.0       1.6
      63.0       3.3
      64.0       1.0
      65.0      14.0
      66.0       1.7
      77.0       2.7
      78.0       1.7
      89.0       2.7
      90.0       1.0
      91.0     100.0
      92.0       7.6
     103.0       1.2
     158.0      32.2
     159.0       4.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₀ N₂	0.038 g : 0.5 ml CDCl₃
1-benzylimidazole

    Assign.     Shift(ppm)

      A             7.530
      B             7.33
      C             7.141
      D     *1      7.082
      E     *1      6.891
      F             5.095

     Hz     ppm     Int.

   3009.40   7.531    345
   2944.82   7.369     89
   2942.26   7.363    101
   2940.43   7.358     65
   2938.60   7.353     76
   2935.91   7.347    401
   2934.45   7.343    192
   2933.47   7.341    136
   2930.42   7.333    234
   2928.83   7.329    533
   2926.88   7.324    337
   2925.17   7.320    202
   2923.34   7.315     77
   2923.10   7.315     77
   2920.65   7.309    142
   2920.04   7.307    144
   2915.77   7.296     31
   2914.31   7.293     32
   2912.72   7.289     41
   2859.01   7.154    319
   2858.28   7.152    278
   2857.30   7.150    339
   2855.22   7.145    116
   2851.56   7.136    260
   2850.95   7.134    300
   2850.22   7.132    268
   2849.61   7.131    249
   2846.92   7.124     35
   2831.54   7.086    288
   2830.57   7.083    435
   2829.59   7.081    295
   2755.25   6.895    285
   2754.03   6.892    476
   2752.81   6.889    276
   2036.50   5.096   1000

in CDCl3