2-吡啶硫酮(2637-34-5)紅外圖譜(IR1)
InChI:InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChIKey: WHMDPDGBKYUEMW-UHFFFAOYSA-N
Smiles:C1(=S)NC=CC=C1
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Mass
MS-NW-4633
2(1H)-pyridinethione
C5H5NS (Mass of molecular ion: 111)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
18.0 1.8
26.0 2.9
27.0 5.1
28.0 3.5
37.0 2.8
38.0 4.5
39.0 21.3
40.0 3.3
41.0 3.8
44.0 1.5
45.0 6.0
49.0 1.7
50.0 8.7
51.0 27.0
52.0 9.7
53.0 1.4
55.0 2.7
57.0 6.5
58.0 7.1
59.0 1.6
60.0 1.5
64.0 1.0
66.0 1.4
67.0 100.0
68.0 4.7
69.0 4.0
70.0 1.4
75.0 1.3
76.0 1.5
78.0 35.0
79.0 3.5
81.0 2.0
82.0 3.8
83.0 10.2
84.0 6.7
85.0 1.2
110.0 13.0
111.0 99.5
112.0 7.0
113.0 5.0
155.0 1.6
156.0 4.6
187.0 2.1
220.0 2.1
400 MHz in DMSO-d6
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C5 H5 N S
|
0.038 g : 0.5 ml DMSO-d6
|
| 2(1H)-pyridinethione
|
 |
Assign. Shift(ppm)
A 13.5
B 7.671
C 7.429
D 7.310
E 6.770
J(B,E)=5.8HZ
|
Hz ppm Int.
5397.45 13.506 94
3068.72 7.679 445
3062.95 7.665 456
3052.69 7.639 30
2978.54 7.453 444
2976.83 7.449 432
2971.70 7.436 506
2969.78 7.431 1000
2968.07 7.427 659
2962.94 7.414 669
2961.23 7.410 627
2956.96 7.399 30
2925.33 7.320 998
2916.79 7.299 715
2713.15 6.789 478
2711.86 6.786 515
2706.10 6.772 797
2705.45 6.770 810
2699.90 6.756 463
2698.62 6.753 472
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| 1H NMR |
89.56 MHz |
| C5 H5 N S
|
0.041 g : 0.5 ml CDCl3
|
| 2(1H)-pyridinethione
|
|
Assign. Shift(ppm)
A 2.7
B 6.808
C 7.42
D 7.57
E 7.68
|
Hz ppm Int.
687.94 7.682 517
682.44 7.620 828
675.56 7.544 940
674.94 7.537 994
674.56 7.532 1000
674.19 7.528 999
673.19 7.517 818
672.25 7.507 743
670.56 7.488 498
669.00 7.470 172
665.69 7.433 670
664.00 7.415 500
662.00 7.392 152
658.94 7.358 131
658.50 7.353 132
657.13 7.338 228
655.31 7.317 184
617.63 6.897 401
615.94 6.878 314
614.50 6.862 157
611.25 6.826 611
609.63 6.807 487
607.56 6.784 122
604.75 6.753 276
603.06 6.734 216