132-65-0

二苯并噻吩(132-65-0)Raman光譜

產品名稱:二苯并噻吩

CAS:132-65-0

分子式:C12H8S

分子量: 184.26

InChI:InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H

InChIKey: IYYZUPMFVPLQIF-UHFFFAOYSA-N

Smiles:C12=CC=CC=C1C1=CC=CC=C1S2

Mass

MS-NW-6180          
dibenzothiophene
C12H8S              (Mass of molecular ion:    184)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      39.0       1.2
      63.0       1.7
      69.0       1.9
      74.0       1.1
      75.0       1.1
      79.0       4.7
      89.0       1.0
      91.0       2.1
      92.0       7.8
      92.5       1.1
     113.0       1.3
     114.0       1.2
     115.0       1.0
     138.0       1.4
     139.0      10.8
     140.0       2.0
     151.0       1.3
     152.0       6.0
     158.0       1.3
     182.0       1.7
     183.0       4.3
     184.0     100.0
     185.0      14.6
     186.0       5.6

parameter in benzene-d6

parameter in CDCl3

400 MHz in CDCl3

¹H NMR	300 MHz
C₁₂ H₈ S	5 wt% in benzene-d₆
dibenzothiophene

    Parameter     ppm  Hz

      D(A)         7.839
      D(B)         7.164
      D(C)         7.121
      D(D)         7.526
       J(A,B)          8.07
       J(A,C)          1.09
       J(A,D)          0.71
       J(B,C)          7.13
       J(B,D)          1.21
       J(C,D)          7.95
     
     BALKAU,F. ET AL. AUST.J.CHEM. 24, 2293 (1971)

     Hz     ppm     Int.

   2364.29   7.881     13
   2356.68   7.856    429
   2356.03   7.853    462
   2354.78   7.849    619
   2349.36   7.831    402
   2348.19   7.827    506
   2347.57   7.825    537
   2346.90   7.823    479
   2339.99   7.800     17
   2269.59   7.565     13
   2262.83   7.543    421
   2262.16   7.541    459
   2261.37   7.538    438
   2260.22   7.534    372
   2255.09   7.517    665
   2253.69   7.512    508
   2253.04   7.510    478
   2245.56   7.485     17
   2158.24   7.194    204
   2156.73   7.189    257
   2151.10   7.170    634
   2149.59   7.165    554
   2143.65   7.145    904
   2141.63   7.139   1000
   2135.71   7.119    554
   2134.33   7.114    612
   2128.56   7.095    228
   2127.19   7.091    184

¹H NMR	300 MHz
C₁₂ H₈ S	5 wt% in CDCl₃
dibenzothiophene

    Parameter     ppm  Hz

      D(A)         8.078
      D(B)         7.367
      D(C)         7.367
      D(D)         7.773
       J(A,B)          8.06
       J(A,C)          1.16
       J(A,D)          0.71
       J(B,C)          7.17
       J(B,D)          1.14
       J(C,D)          8.05
     
     BALKAU,F. & HEFFERNAN,M.L. AUST.J.CHEM. 24, 2293 (1971)

     Hz     ppm     Int.

   2432.37   8.108     42
   2431.69   8.106     44
   2428.40   8.095    281
   2427.77   8.093    286
   2425.13   8.084    269
   2424.61   8.082    272
   2422.47   8.075    257
   2421.72   8.072    259
   2419.19   8.064    308
   2418.56   8.062    308
   2415.23   8.051     52
   2414.64   8.049     50
   2340.96   7.803     39
   2340.22   7.801     41
   2336.95   7.790    274
   2336.32   7.788    274
   2333.73   7.779    261
   2333.13   7.777    260
   2330.99   7.770    266
   2330.31   7.768    263
   2327.76   7.759    321
   2327.13   7.757    315
   2323.75   7.746     56
   2323.23   7.744     54
   2218.55   7.395    159
   2214.59   7.382   1000
   2211.39   7.371    845
   2208.61   7.362    818
   2205.40   7.351    890
   2201.44   7.338    129

¹H NMR	399.65 MHz
C₁₂ H₈ S	12.5 mg : 0.5 ml CDCl₃
dibenzothiophene

    Assign.     Shift(ppm)

      A             8.155
      B             7.853
      C             7.45
      D             7.45

     Hz     ppm     Int.

   3267.94   8.178     42
   3267.21   8.176     40
   3263.92   8.167    255
   3263.31   8.166    242
   3260.62   8.159    249
   3260.13   8.158    218
   3258.06   8.153    229
   3257.32   8.151    218
   3254.76   8.145    280
   3254.15   8.143    246
   3250.73   8.134     49
   3250.12   8.133     43
   3147.71   7.877     43
   3146.85   7.875     46
   3143.55   7.866    288
   3142.94   7.865    252
   3140.38   7.858    268
   3139.65   7.857    218
   3137.70   7.852    253
   3136.96   7.850    252
   3134.40   7.843    317
   3133.79   7.842    287
   3130.37   7.833     60
   3129.76   7.832     52
   2987.30   7.475    159
   2986.45   7.473     41
   2985.84   7.472     43
   2983.28   7.465   1000
   2980.10   7.457    797
   2977.29   7.450    785
   2974.12   7.442    952
   2972.29   7.438     60
   2970.21   7.433    140

in CDCl3