2,5-Dibromothiophene(3141-27-3) MS
Product Name2,5-Dibromothiophene
CAS3141-27-3
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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MassMS-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
in CDCl3
liquid film
