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4238-71-5

N-苄基咪唑(4238-71-5)质谱(MS)

产品名称:N-苄基咪唑

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

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    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

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

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KBr disc

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Nujol

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4880 A,200 M,powder

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