4-甲基噻唑(693-95-8)核磁图(13CNMR)
InChI:InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3
InChIKey: QMHIMXFNBOYPND-UHFFFAOYSA-N
Smiles:S1C=C(C)N=C1
-
Mass
MS-NW-6431
4-methylthiazole
C4H5NS (Mass of molecular ion: 99)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
18.0 1.0
26.0 2.3
27.0 4.1
28.0 3.1
32.0 1.2
37.0 2.0
38.0 2.8
39.0 14.3
40.0 1.2
43.0 1.3
44.0 1.4
45.0 21.9
46.0 2.4
47.0 1.1
51.0 1.0
52.0 1.1
54.0 1.3
57.0 1.8
58.0 1.8
68.0 1.0
69.0 5.4
70.0 1.8
71.0 74.2
72.0 44.9
73.0 5.0
74.0 2.1
98.0 2.1
99.0 100.0
100.0 6.1
101.0 4.8
parameter in CCl4
90 MHz in CDCl3
-
| 1H NMR |
300 MHz |
| C4 H5 N S
|
in CCl4
|
| 4-methylthiazole
|
 |
Parameter ppm Hz
D(A) 8.64
D(B) 6.87
D(C) 2.47
J(A,B) 1.86
J(A,C) 0.28
J(B,C) 1.00
HAAKE,P. & MILLER,W.B. J.AM.CHEM.SOC. 85, 4044 (1963)
THE COUPLING CONSTANTS WERE MEASURED IN NEAT SOLUTION.
|
Hz ppm Int.
2592.94 8.643 263
2591.12 8.637 265
2063.36 6.878 68
2062.45 6.875 159
2061.47 6.872 204
2060.56 6.869 208
2059.65 6.865 159
2058.68 6.862 66
741.45 2.471 1000
740.60 2.469 999
-
| 1H NMR |
89.56 MHz |
| C4 H5 N S
|
0.05 ml : 0.5 ml CDCl3
|
| 4-methylthiazole
|
|
Assign. Shift(ppm)
A 8.455
B 6.650
C 2.233
HPM-03-662 IN CCL4
|
Hz ppm Int.
758.25 8.467 190
756.31 8.445 185
598.00 6.678 83
597.06 6.667 182
596.06 6.656 226
595.06 6.645 222
594.06 6.634 173
593.13 6.623 77
200.63 2.241 1000
199.63 2.230 930