alpha-Toluenesulfonyl chloride(1939-99-7) 13C NMR
Product Namealpha-Toluenesulfonyl chloride
CAS1939-99-7
Molecular FormulaC7H7ClO2S
Molecular Weight190.65
InChIInChI=1S/C7H7ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey OAHKWDDSKCRNFE-UHFFFAOYSA-N
SmilesC1(CS(Cl)(=O)=O)=CC=CC=C1
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MassMS-NW-2249 alpha-toluenesulfonyl chloride C7H7ClO2S (Mass of molecular ion: 190)
Source Temperature: 270 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.2 28.0 1.7 38.0 1.6 39.0 5.9 41.0 1.1 45.0 1.5 48.0 10.2 50.0 2.4 51.0 3.8 52.0 1.2 62.0 2.0 63.0 5.0 64.0 24.0 65.0 10.6 66.0 1.1 77.0 2.2 89.0 4.6 90.0 2.2 91.0 100.0 92.0 8.5 105.0 1.9 106.0 1.9 125.0 4.5 126.0 15.6 127.0 2.5 128.0 4.9 182.0 1.0
in CDCl3
CCl4 solution
KBr disc
