2,5-Dibromothiophene(3141-27-3) IR1
Molecular FormulaC4H2Br2S
Molecular Weight241.93
InChIInChI=1S/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2H
InChIKey KBVDUUXRXJTAJC-UHFFFAOYSA-N
SmilesC1(Br)SC(Br)=CC=1
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Mass
MS-NW-1142
2,5-dibromothiophene
C4H2Br2S (Mass of molecular ion: 240)
Source Temperature: 240 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
18.0 2.0
25.0 2.0
26.0 1.2
36.0 2.7
37.0 20.0
38.0 26.3
39.0 1.4
41.0 11.5
44.0 7.1
45.0 18.9
48.0 1.4
49.0 6.7
50.0 4.8
56.0 3.8
57.0 23.8
58.0 1.4
59.0 1.0
68.0 2.3
69.0 7.5
79.0 4.1
80.0 7.4
80.5 1.7
81.0 27.9
81.5 1.5
82.0 100.0
83.0 6.9
84.0 4.6
91.0 1.8
93.0 1.9
104.0 1.7
106.0 1.8
116.0 2.1
117.0 30.5
118.0 3.1
119.0 29.4
120.0 4.3
121.0 7.0
122.0 3.6
123.0 4.7
125.0 4.7
135.0 1.7
136.0 7.3
137.0 1.8
138.0 7.2
160.0 2.2
161.0 48.0
162.0 5.2
163.0 47.6
164.0 3.2
165.0 2.2
240.0 47.0
241.0 2.6
242.0 90.5
243.0 4.8
244.0 46.9
245.0 2.4
246.0 1.9
parameter in TMS
parameter in CDCl3
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1H NMR |
300 MHz |
C4 H2 Br2 S
|
in TMS
|
2,5-dibromothiophene
|
 |
Parameter ppm Hz
D(A) 6.707
READ,J.M. ET AL. SPECTROCHIM.ACTA 21, 85 (1965)
J(A,C-13):174.66HZ. J(A,A):3.98HZ.
|
Hz ppm Int.
2012.10 6.707 1000
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1H NMR |
300 MHz |
C4 H2 Br2 S
|
0.02 ml : 0.5 ml CDCl3
|
2,5-dibromothiophene
|
 |
Parameter ppm Hz
D(A) 6.826
|
Hz ppm Int.
2047.80 6.826 1000