1137-68-4

2-(2-吡啶)-苯并咪唑(1137-68-4)Raman光譜

產(chǎn)品名稱:2-(2-吡啶)-苯并咪唑

CAS:1137-68-4

分子式:C12H9N3

分子量: 195.22

InChI:InChI=1S/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15)

InChIKey: YNFBMDWHEHETJW-UHFFFAOYSA-N

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

Mass

MS-NW-7160          
2-(2-pyridyl)benzimidazole
C12H9N3             (Mass of molecular ion:    195)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.1
      38.0       1.7
      39.0       2.9
      50.0       1.3
      51.0       4.5
      52.0       3.8
      62.0       1.4
      63.0       5.2
      64.0       5.4
      65.0       1.9
      76.0       1.0
      78.0       8.3
      79.0       3.6
      90.0       4.1
      91.0       2.1
      92.0       1.3
      97.5       3.6
     105.0       3.4
     140.0       1.0
     143.0       1.3
     167.0      11.2
     168.0       6.2
     169.0       3.6
     193.0       1.3
     194.0      16.4
     195.0     100.0
     196.0      14.1
     197.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₉ N₃	0.037 g : 0.5 ml DMSO-d₆
2-(2-pyridyl)benzimidazole

    Assign.     Shift(ppm)

      A            13.1
      B             8.762
      C             8.398
      D             8.027
      E             7.768
      F             7.609
      G             7.539
      J             7.29
      K             7.25
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   5282.89  13.219     30
   5269.70  13.186    507
   5258.89  13.159     46
   3504.89   8.770    537
   3503.98   8.768    629
   3503.24   8.766    609
   3502.51   8.764    518
   3500.13   8.758    569
   3499.21   8.756    647
   3497.75   8.753    483
   3361.47   8.412    573
   3360.56   8.409    817
   3353.60   8.392    654
   3352.68   8.390    925
   3216.59   8.049    415
   3214.94   8.045    399
   3209.08   8.030    748
   3207.25   8.026    727
   3204.13   8.018     63
   3201.20   8.011    416
   3199.37   8.006    386
   3108.70   7.779    577
   3101.19   7.760    629
   3044.41   7.618    539
   3043.49   7.616    575
   3036.35   7.598    658
   3027.38   7.576     31
   3027.01   7.575     30
   3019.50   7.556    482
   3018.40   7.553    457
   3014.74   7.544    489
   3013.64   7.541    499
   3011.99   7.537    493
   3010.89   7.534    426
   3007.23   7.525    451
   3006.13   7.522    401
   2922.97   7.314    214
   2921.87   7.312    258
   2916.01   7.297    654
   2914.73   7.294    557
   2911.80   7.286    126
   2908.50   7.278    624
   2906.85   7.274   1000
   2905.20   7.270    588
   2898.98   7.254    553
   2897.69   7.251    584
   2894.58   7.243     75
   2891.83   7.236    242
   2890.55   7.233    186

in DMSO-d6