2349-58-8

4,5-二苯基-2-咪唑硫醇(2349-58-8)红外图谱(IR1)

产品名称:4,5-二苯基-2-咪唑硫醇

CAS:2349-58-8

分子式:C15H12N2S

分子量: 252.33

InChI:InChI=1S/C15H12N2S/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18)

InChIKey: GMTAWLUJHGIUPU-UHFFFAOYSA-N

Smiles:C1(=S)NC(C2=CC=CC=C2)=C(C2=CC=CC=C2)N1

Mass

MS-NW-6937          
4,5-diphenyl-2-imidazolethiol
C15H12N2S           (Mass of molecular ion:    252)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      39.0       2.2
      45.0       1.1
      50.0       1.7
      51.0       4.5
      52.0       1.0
      62.0       1.2
      63.0       3.0
      75.0       1.1
      76.0       2.9
      77.0       9.1
      78.0       1.0
      89.0       4.1
      90.0       1.7
      96.5       1.5
     103.0       3.8
     104.0      10.3
     105.0       1.3
     109.5       1.0
     115.0       1.3
     116.0       1.9
     121.0       2.9
     126.0       3.3
     139.0       1.4
     148.0       1.5
     149.0       1.9
     152.0       1.0
     163.0       1.6
     164.0       2.1
     165.0      18.2
     166.0       3.6
     167.0       1.1
     177.0       1.4
     178.0       1.9
     190.0       2.2
     191.0       1.3
     192.0       2.3
     193.0      15.2
     194.0       3.5
     218.0       6.7
     219.0       8.7
     220.0       7.6
     221.0       1.2
     225.0       1.0
     237.0       1.3
     250.0       1.0
     251.0      11.3
     252.0     100.0
     253.0      18.5
     254.0       5.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₅ H₁₂ N₂ S	0.033 g : 0.5 ml DMSO-d₆
4,5-diphenyl-2-imidazolethiol

    Assign.     Shift(ppm)

      A            12.3
      B          7.36 to 7.32

     Hz     ppm     Int.

   4924.35  12.322    168
   2949.70   7.381    211
   2949.05   7.380    176
   2947.13   7.375    258
   2946.49   7.373    196
   2945.21   7.370    204
   2943.07   7.365    401
   2942.22   7.362    335
   2941.15   7.360    700
   2939.44   7.356   1000
   2937.09   7.350    521
   2934.95   7.344    204
   2933.88   7.342    298
   2931.96   7.337    717
   2931.10   7.335    835
   2929.18   7.330    315
   2926.19   7.322    498
   2924.69   7.319    435
   2923.84   7.317    745
   2921.92   7.312    396
   2918.50   7.303    185
   2917.64   7.301    198
   2912.94   7.289     67
   2911.45   7.286     54
   2909.52   7.281     34

in DMSO-d6