3-噻吩乙腈(13781-53-8)Raman光譜
InChI:InChI=1S/C6H5NS/c7-3-1-6-2-4-8-5-6/h2,4-5H,1H2
InChIKey: GWZCLMWEJWPFFA-UHFFFAOYSA-N
Smiles:C1SC=CC=1CC#N
-
Mass
MS-NW-9442
(3-thienyl)acetonitrile
C6H5NS (Mass of molecular ion: 123)
Source Temperature: 210 °C
Sample Temperature: 160 °C
Reservoir, 75 eV
27.0 1.0
37.0 1.8
38.0 2.6
39.0 6.3
45.0 18.3
47.0 1.3
50.0 3.0
51.0 4.6
52.0 3.8
53.0 2.1
57.0 2.9
58.0 3.8
63.0 2.0
64.0 1.1
69.0 5.0
70.0 6.7
71.0 1.8
78.0 5.0
79.0 1.6
81.0 2.0
82.0 2.6
94.0 1.4
95.0 6.8
96.0 56.8
97.0 21.3
98.0 3.8
122.0 100.0
123.0 90.8
124.0 11.2
125.0 4.2
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C6 H5 N S
|
0.05 ml : 0.5 ml CDCl3
|
| (3-thienyl)acetonitrile
|
 |
Assign. Shift(ppm)
A 7.313
B 7.199
C 6.987
D 3.671
|
Hz ppm Int.
2927.00 7.324 273
2924.07 7.317 318
2922.00 7.312 287
2919.07 7.305 310
2880.25 7.207 169
2879.15 7.205 312
2877.81 7.201 323
2876.71 7.199 241
2876.22 7.197 293
2874.88 7.194 257
2873.78 7.191 135
2795.65 6.996 312
2794.19 6.992 292
2790.65 6.983 286
2789.18 6.980 263
1467.65 3.673 1000
1466.55 3.670 882
-
| 1H NMR |
89.56 MHz |
| C6 H5 N S
|
0.05 ml : 0.5 ml CDCl3
|
| (3-thienyl)acetonitrile
|
|
Assign. Shift(ppm)
A 7.311
B 7.206
C 6.991
D 3.676
|
Hz ppm Int.
659.56 7.365 180
656.56 7.331 291
654.69 7.311 241
651.69 7.277 417
648.81 7.245 150
648.13 7.237 165
647.06 7.225 282
645.56 7.209 330
644.56 7.197 224
644.13 7.193 217
642.63 7.176 171
641.63 7.165 99
639.56 7.142 30
628.88 7.022 306
627.44 7.006 269
625.94 6.990 69
624.00 6.968 224
622.56 6.952 194
329.75 3.682 1000
328.75 3.671 917