2-Bromothiazole(3034-53-5) MS
Product Name2-Bromothiazole
CAS3034-53-5
Molecular FormulaC3H2BrNS
Molecular Weight164.02
InChIInChI=1S/C3H2BrNS/c4-3-5-1-2-6-3/h1-2H
InChIKey RXNZFHIEDZEUQM-UHFFFAOYSA-N
SmilesS1C=CN=C1Br
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MassMS-NW-8645 2-bromothiazole C3H2BrNS (Mass of molecular ion: 163)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
26.0 2.7 32.0 2.4 38.0 1.2 40.0 1.9 44.0 2.5 45.0 5.5 51.0 1.3 56.0 1.4 57.0 12.3 58.0 100.0 59.0 3.7 60.0 4.6 79.0 1.4 81.0 1.7 82.0 1.5 83.0 2.5 163.0 58.7 164.0 2.9 165.0 59.7 166.0 2.6 167.0 2.6
parameter in CCl4
90 MHz in CDCl3
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1H NMR 300 MHz C3 H2 Br N S in CCl4 2-bromothiazole 
Parameter ppm Hz
D(A) 7.59 D(B) 7.35 J(A,B) 3.4 CLARKE,G.M. & WILLIAMS,D.H. J.CHEM.SOC. 1965, 4597
Hz ppm Int.2278.74 7.596 912 2275.34 7.584 1000 2206.66 7.356 1000 2203.26 7.344 912
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1H NMR 89.56 MHz C3 H2 Br N S 0.04 ml : 0.5 ml CDCl3 2-bromothiazole Assign. Shift(ppm)
A 7.605 B 7.306 J(A,B)=3.6HZ.
Hz ppm Int.683.13 7.628 246 679.56 7.588 316 656.00 7.325 1000 652.38 7.285 804
in CDCl3
liquid film
