Product Name2-Chlorothiophene
CAS96-43-5
Molecular FormulaC4H3ClS
Molecular Weight118.58
InChIInChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H
InChIKey GSFNQBFZFXUTBN-UHFFFAOYSA-N
SmilesC1(Cl)SC=CC=1
Mass
MS-NW-1141 2-chlorothiophene C4H3ClS (Mass of molecular ion: 118)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
26.0 1.2 28.0 1.4 36.0 1.0 37.0 5.0 38.0 5.8 39.0 23.4 41.0 4.2 44.0 2.2 45.0 26.6 47.0 2.2 49.0 1.9 50.0 2.9 56.0 1.3 57.0 11.0 58.0 14.2 59.0 3.2 60.0 2.4 69.0 3.7 73.0 10.3 75.0 3.5 79.0 7.6 81.0 5.5 82.0 4.9 83.0 53.3 84.0 3.7 85.0 2.8 92.0 3.5 94.0 1.3 117.0 1.6 118.0 100.0 119.0 5.7 120.0 36.7 121.0 2.0 122.0 1.4 152.0 4.0 154.0 2.7
parameter in TMS
1H NMR | 300 MHz |
C4 H3 Cl S | in TMS |
2-chlorothiophene |
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Parameter ppm Hz |
Hz ppm Int.
2079.10 6.930 624 2077.53 6.925 669 2073.60 6.912 764 2072.03 6.907 821 2038.98 6.797 517 2037.41 6.791 577 2035.27 6.784 1000 2033.70 6.779 848 2026.80 6.756 987 2023.09 6.744 567 2021.31 6.738 780 2017.60 6.725 478
in CDCl3
liquid film
2-Chlorothiophene(96-43-5) Raman Atlas of Related Products
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