2-Bromo-3-methylthiophene(14282-76-9) MS
Product Name2-Bromo-3-methylthiophene
CAS14282-76-9
Molecular FormulaC5H5BrS
Molecular Weight177.06
InChIInChI=1S/C5H5BrS/c1-4-2-3-7-5(4)6/h2-3H,1H3
InChIKey YYJBWYBULYUKMR-UHFFFAOYSA-N
SmilesC1(Br)SC=CC=1C
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MassMS-NW-3101 2-bromo-3-methylthiophene C5H5BrS (Mass of molecular ion: 176)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.4 27.0 4.8 37.0 2.3 38.0 3.0 39.0 3.9 44.0 1.2 45.0 23.5 47.0 1.9 48.0 1.5 49.0 1.2 50.0 3.8 51.0 5.8 52.0 2.1 53.0 17.8 57.0 2.1 58.0 1.8 62.0 1.0 63.0 1.5 68.0 1.4 69.0 12.1 70.0 6.2 71.0 3.5 81.0 1.7 82.0 1.8 93.0 1.1 95.0 2.8 96.0 7.2 97.0 100.0 98.0 6.8 99.0 4.6 123.0 1.2 125.0 1.2 175.0 11.7 176.0 47.0 177.0 14.7 178.0 47.0 179.0 3.5 180.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H5 Br S 0.05 ml : 0.5 ml CDCl3 2-bromo-3-methylthiophene 
Assign. Shift(ppm)
A 7.114 B 6.740 C 2.170
Hz ppm Int.640.44 7.151 130 634.81 7.089 176 606.13 6.768 176 600.56 6.706 128 194.38 2.171 1000
in CDCl3
liquid film
