4-乙基-3-硫代氨基脲(13431-34-0)Raman光譜
InChI:
InChIKey:
Smiles:
-
Mass
MS-NW-7429
4-ethyl(thiosemicarbazide)
C3H9N3S (Mass of molecular ion: 119)
Source Temperature: 160 °C
Sample Temperature: 120 °C
Direct, 75 eV
15.0 2.6
17.0 3.1
18.0 11.8
26.0 1.8
27.0 13.7
28.0 16.8
29.0 26.4
30.0 5.6
31.0 12.5
32.0 100.0
33.0 1.0
40.0 1.1
41.0 1.8
42.0 6.7
43.0 12.1
44.0 29.5
45.0 3.8
47.0 1.3
48.0 1.9
55.0 1.5
59.0 7.0
60.0 65.6
61.0 5.0
62.0 3.1
69.0 4.5
71.0 1.2
74.0 1.6
75.0 2.7
76.0 1.0
86.0 1.0
88.0 10.6
102.0 5.7
103.0 1.8
119.0 60.9
120.0 4.0
121.0 2.8
90 MHz in CDCl3
400 MHz in CDCl3
-
| 1H NMR |
89.56 MHz |
| C3 H9 N3 S
|
0.031 g : 0.5 ml CDCl3
|
| 4-ethyl(thiosemicarbazide)
|
 |
Assign. Shift(ppm)
A *1 8.15
B *1 7.4
C 3.92
D 3.64
E 1.238
|
Hz ppm Int.
730.13 8.153 77
666.44 7.442 42
359.50 4.015 30
358.94 4.008 30
351.31 3.923 225
340.31 3.800 88
334.50 3.735 90
332.94 3.718 250
327.31 3.655 246
325.69 3.637 268
322.69 3.604 42
320.06 3.574 260
318.63 3.558 113
312.88 3.494 92
117.94 1.317 500
114.50 1.279 45
110.75 1.237 1000
106.56 1.190 49
103.44 1.155 440
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| 1H NMR |
399.65 MHz |
| C3 H9 N3 S
|
0.040 g : 0.5 ml CDCl3
|
| 4-ethyl(thiosemicarbazide)
|
|
Assign. Shift(ppm)
A *1 8.23
B *1 7.45
C 3.96
D 3.640
E 1.235
|
Hz ppm Int.
3287.48 8.226 56
2975.83 7.447 36
1584.23 3.965 87
1468.99 3.676 58
1463.26 3.662 78
1461.67 3.658 187
1456.05 3.644 198
1454.47 3.640 205
1448.73 3.625 194
1447.27 3.622 87
1441.53 3.607 65
501.10 1.254 500
498.05 1.247 27
493.90 1.236 1000
486.57 1.218 512
484.25 1.212 41