N-(2-羥乙基)-N’-2-丙烯基硫脲(105-81-7)紅外圖譜(IR1)
分子式:C6H12N2OS
分子量: 160.24
InChI:InChI=1S/C6H12N2OS/c1-2-3-7-6(10)8-4-5-9/h2,9H,1,3-5H2,(H2,7,8,10)
InChIKey: VUVPNTYTOUGMDG-UHFFFAOYSA-N
Smiles:N(CCO)C(NCC=C)=S
-
Mass
MS-NW-0208
1-allyl-3-(2-hydroxyethyl)thiourea
C6H12N2OS (Mass of molecular ion: 160)
Source Temperature: 220 °C
Sample Temperature: 0 °C
Direct, 75 eV
15.0 5.7
18.0 3.6
19.0 2.9
26.0 2.2
27.0 12.6
28.0 31.5
29.0 4.8
30.0 59.1
31.0 6.9
32.0 1.4
33.0 1.1
34.0 1.8
38.0 2.2
39.0 31.7
40.0 3.2
41.0 100.0
42.0 15.8
43.0 28.5
44.0 15.6
45.0 18.3
46.0 2.1
47.0 2.2
52.0 1.2
54.0 7.8
55.0 8.4
56.0 74.3
57.0 50.7
58.0 11.0
59.0 8.5
60.0 30.0
61.0 3.1
62.0 7.0
67.0 2.7
68.0 3.7
69.0 7.1
70.0 2.6
71.0 2.4
72.0 7.4
73.0 8.5
74.0 8.8
75.0 2.5
76.0 1.0
77.0 4.2
81.0 2.2
82.0 2.2
83.0 17.8
84.0 2.3
85.0 1.5
86.0 17.3
87.0 3.2
88.0 2.0
90.0 1.5
95.0 2.1
98.0 2.0
99.0 3.5
100.0 9.9
101.0 32.5
102.0 2.4
103.0 3.2
104.0 3.5
109.0 1.1
113.0 2.5
114.0 3.3
115.0 12.6
116.0 3.2
117.0 3.2
125.0 2.2
126.0 2.0
127.0 8.4
129.0 3.8
131.0 1.0
141.0 4.0
142.0 5.0
143.0 1.8
145.0 80.1
146.0 5.7
147.0 4.1
159.0 3.4
160.0 97.2
161.0 9.1
162.0 5.1
400 MHz in DMSO-d6
90 MHz in DMSO-d6
-
| 1H NMR |
399.65 MHz |
| C6 H12 N2 O S
|
0.040 g : 0.5 ml DMSO-d6
|
| 1-allyl-3-(2-hydroxyethyl)thiourea
|
 |
Assign. Shift(ppm)
A *1 7.60
B *1 7.44
C 5.837
D 5.146
E 5.071
F 4.77
G 4.05
J 3.48
SIGNAL J OVERLAPPED BY THE IMPURITY PEAK.
|
Hz ppm Int.
3038.82 7.604 184
2974.37 7.443 243
2348.63 5.877 166
2343.63 5.865 173
2338.26 5.851 213
2337.16 5.849 179
2331.54 5.834 241
2326.29 5.821 210
2321.17 5.809 221
2065.92 5.170 394
2064.33 5.166 434
2062.62 5.162 256
2048.71 5.127 376
2047.12 5.123 421
2045.53 5.119 265
2032.59 5.086 432
2031.01 5.082 456
2022.34 5.061 401
2020.75 5.057 412
1907.96 4.775 203
1617.92 4.049 372
1394.29 3.489 760
1389.40 3.477 1000
1367.80 3.423 219
-
| 1H NMR |
89.56 MHz |
| C6 H12 N2 O S
|
0.048 g : 0.5 ml DMSO-d6
|
| 1-allyl-3-(2-hydroxyethyl)thiourea
|
|
Assign. Shift(ppm)
A 7.5
B 7.4
C 5.85
D 5.13
E 5.09
F 4.74
G 4.045
J 3.44
|
Hz ppm Int.
679.25 7.585 160
663.94 7.414 157
543.63 6.071 66
538.31 6.011 127
533.56 5.958 105
528.44 5.901 154
526.25 5.876 98
523.31 5.844 81
521.00 5.818 205
516.31 5.765 168
511.06 5.707 255
505.94 5.650 135
471.25 5.262 104
469.50 5.243 300
467.56 5.221 408
465.94 5.203 171
460.94 5.147 170
459.44 5.130 378
457.94 5.114 242
457.44 5.108 237
456.00 5.092 106
453.88 5.068 96
452.19 5.050 232
450.19 5.027 317
449.50 5.019 324
448.63 5.010 226
448.00 5.003 219
447.56 4.998 222
446.00 4.980 99
424.19 4.737 253
367.75 4.107 272
366.25 4.090 186
362.38 4.047 475
358.31 4.001 191
357.00 3.987 245
355.50 3.970 134
310.44 3.467 1000