二苯并噻吩(132-65-0)核磁圖(1HNMR)
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
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| 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
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| 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
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| 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