2-氨基-5-溴噻唑(3034-22-8)質(zhì)譜(MS)
分子式:C3H3BrN2S
分子量: 179.04
InChI:InChI=1S/C3H3BrN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)
InChIKey: ARHCLXWELPFVFQ-UHFFFAOYSA-N
Smiles:S1C(Br)=CN=C1N
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Mass
MS-NW-6611
2-amino-5-bromothiazole hydrobromide
C3H3BrN2S HBr (Mass of molecular ion: 178)
Source Temperature: 180 °C
Sample Temperature: 120 °C
Direct, 75 eV
17.0 2.4
18.0 11.6
27.0 1.9
28.0 11.6
32.0 2.0
38.0 1.7
39.0 1.3
40.0 1.1
42.0 1.6
43.0 2.3
44.0 5.5
45.0 7.1
49.5 8.3
53.0 1.7
54.0 1.0
55.0 19.3
56.0 1.5
57.0 34.2
58.0 3.0
59.0 2.7
60.0 4.9
70.0 3.4
71.0 3.7
72.0 11.8
73.0 1.7
79.0 11.0
80.0 27.5
81.0 11.1
82.0 26.4
89.0 1.0
90.0 1.1
98.0 2.6
99.0 100.0
100.0 7.3
101.0 4.9
106.0 1.2
123.0 1.6
125.0 1.6
136.0 5.8
138.0 6.0
178.0 58.2
179.0 3.2
180.0 59.1
181.0 2.8
182.0 2.7
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| 1H NMR |
399.65 MHz |
| C3 H3 Br N2 S
|
0.040 g : 0.5 ml DMSO-d6
|
| 2-amino-5-bromothiazole hydrobromide
|
 |
Assign. Shift(ppm)
A 7.597
|
Hz ppm Int.
3036.35 7.598 1000