4-tert-Butylbenzenesulfonyl chloride(15084-51-2) MS
Product Name4-tert-Butylbenzenesulfonyl chloride
CAS15084-51-2
Molecular FormulaC10H13ClO2S
Molecular Weight232.73
InChIInChI=1S/C10H13ClO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3
InChIKey YEZADZMMVHWFIY-UHFFFAOYSA-N
SmilesC1(S(Cl)(=O)=O)=CC=C(C(C)(C)C)C=C1
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MassMS-KW-0269 p-tert-butylbenzenesulfonyl chloride C10H13ClO2S (Mass of molecular ion: 232)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
27.0 2.1 29.0 3.3 39.0 4.7 41.0 7.0 50.0 2.7 51.0 4.8 52.0 1.2 53.0 1.5 55.0 2.0 57.0 4.9 57.5 2.6 58.0 7.9 59.0 1.4 63.0 2.3 64.0 1.1 65.0 2.9 74.0 1.0 75.0 1.5 76.0 2.2 77.0 9.9 78.0 3.1 79.0 1.4 89.0 2.3 90.0 3.7 90.5 1.5 91.0 13.0 92.0 1.3 93.0 1.1 102.0 2.0 103.0 4.2 105.0 3.9 106.0 2.5 115.0 6.5 116.0 2.2 117.0 10.5 118.0 20.8 119.0 2.5 125.0 2.8 127.0 1.0 133.0 11.9 134.0 3.1 153.0 1.0 166.0 1.2 181.0 1.0 189.0 11.7 190.0 1.0 191.0 4.5 197.0 10.1 198.0 1.3 217.0 100.0 218.0 11.0 219.0 37.3 220.0 4.0 221.0 1.8 232.0 15.1 233.0 1.9 234.0 5.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C10H13ClO2S 0.041 g : 0.5 ml CDCl3 p-tert-butylbenzenesulfonyl chloride 
Assign. Shift(ppm)
A 7.962 B 7.628 C 1.373
Hz ppm Int.3190.31 7.981 16 3187.87 7.975 102 3185.92 7.970 36 3181.04 7.957 37 3178.96 7.952 114 3176.76 7.947 16 3056.04 7.645 18 3053.59 7.639 108 3051.64 7.634 36 3046.76 7.622 34 3044.80 7.617 95 3042.49 7.611 14 549.08 1.374 1000
in CDCl3
KBr disk
Nujol
