4-CHLOROTHIOANISOLE(123-09-1) MS
Product Name4-CHLOROTHIOANISOLE
CAS123-09-1
Molecular FormulaC7H7ClS
Molecular Weight158.65
InChIInChI=1S/C7H7ClS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey KIQQUVJOLVCZKG-UHFFFAOYSA-N
SmilesC1(Cl)=CC=C(SC)C=C1
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MassMS-NW-9672 p-chlorophenyl methyl sulfide C7H7ClS (Mass of molecular ion: 158)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
39.0 1.3 45.0 12.3 46.0 1.5 47.0 2.2 50.0 4.5 51.0 2.8 58.0 1.2 61.0 1.1 62.0 1.3 63.0 4.1 69.0 4.2 73.0 2.6 74.0 3.1 75.0 6.8 76.0 1.2 77.0 4.3 79.0 3.1 80.0 1.1 81.0 1.0 82.0 2.2 99.0 5.1 101.0 1.6 107.0 1.9 108.0 31.4 109.0 2.5 110.0 1.5 111.0 1.5 112.0 12.6 113.0 1.4 114.0 4.1 121.0 1.3 122.0 1.3 123.0 6.1 125.0 12.9 126.0 1.1 127.0 4.1 142.0 1.1 143.0 45.7 144.0 3.9 145.0 16.9 146.0 1.2 157.0 4.4 158.0 100.0 159.0 10.1 160.0 36.5 161.0 3.1 162.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H7 Cl S 0.05 ml : 0.5 ml CDCl3 p-chlorophenyl methyl sulfide 
Assign. Shift(ppm)
A 7.206 B 7.129 C 2.410
Hz ppm Int.2887.70 7.226 58 2885.13 7.220 365 2882.93 7.214 147 2878.54 7.203 198 2876.34 7.198 499 2873.78 7.191 103 2854.86 7.144 104 2852.29 7.137 513 2850.10 7.132 171 2845.58 7.121 142 2843.51 7.116 319 2840.82 7.109 48 963.26 2.411 1000
in CDCl3
liquid film
