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716-79-0

2-苯基苯并咪唑(716-79-0)核磁图(13CNMR)

产品名称:2-苯基苯并咪唑

CAS:716-79-0

分子式:C13H10N2

分子量: 194.23

InChI:InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15)

InChIKey: DWYHDSLIWMUSOO-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2)NC2=CC=CC=C2N=1

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    Mass

    MS-NW-7030          
    2-phenylbenzimidazole
    C13H10N2            (Mass of molecular ion:    194)
    

       Source Temperature: 200 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          38.0       1.4
          39.0       2.8
          50.0       1.4
          51.0       3.1
          52.0       2.3
          62.0       1.5
          63.0       6.0
          64.0       5.8
          65.0       2.2
          76.0       1.8
          77.0       5.0
          83.5       1.4
          89.0       1.9
          90.0       5.9
          91.0       4.3
          96.5       2.3
          97.0       4.7
         103.0       1.4
         104.0       4.0
         140.0       1.0
         166.0       3.7
         167.0       3.6
         168.0       1.6
         192.0       3.4
         193.0      18.7
         194.0     100.0
         195.0      15.2
         196.0       1.2
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C13 H10 N2 0.042 g : 0.5 ml DMSO-d6
    2-phenylbenzimidazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.98 B 8.246 C 7.72 D 7.58 E 7.579 F 7.515 G 7.24

         Hz     ppm     Int.
    

       5187.18  12.980    278
       3300.56   8.259    614
       3299.07   8.255    811
       3296.93   8.250    219
       3291.80   8.237    789
       3290.95   8.235    617
       3288.60   8.229     98
       3089.44   7.731    120
       3087.73   7.727    118
       3083.67   7.716    132
       3037.73   7.601    317
       3036.45   7.598    478
       3034.74   7.594    268
       3029.40   7.581   1000
       3027.90   7.577    572
       3022.99   7.565    372
       3021.71   7.561    656
       3013.37   7.541     35
       3009.74   7.531    231
       3008.46   7.528    399
       3007.18   7.525    239
       3003.33   7.515    159
       3001.19   7.510    466
       2998.63   7.504    109
       2995.00   7.495     95
       2993.71   7.491    145
       2992.65   7.489     80
       2895.85   7.246    316
       2892.21   7.237    302
    

in DMSO-d6

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KBr disc

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nujol mull

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