3,5-DICHLORO-2-HYDROXYBENZENESULFONYL CHLORIDE(23378-88-3) MS
Product Name3,5-DICHLORO-2-HYDROXYBENZENESULFONYL CHLORIDE
CAS23378-88-3
Molecular FormulaC6H3Cl3O3S
Molecular Weight261.51
InChIInChI=1S/C6H3Cl3O3S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2,10H
InChIKey KXFQRJNVGBIDHA-UHFFFAOYSA-N
SmilesC1(S(Cl)(=O)=O)=CC(Cl)=CC(Cl)=C1O
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MassMS-NW-6568 3,5-dichloro-2-hydroxybenzenesulfonyl chloride C6H3Cl3O3S (Mass of molecular ion: 260)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
17.0 1.1 18.0 5.2 28.0 3.6 35.0 1.8 36.0 9.3 37.0 4.4 38.0 3.0 45.0 1.8 47.0 1.6 48.0 4.8 48.5 1.0 49.0 3.0 50.0 3.6 53.0 8.7 60.0 2.6 61.0 11.2 62.0 21.6 63.0 12.7 64.0 5.5 65.0 4.0 66.0 1.7 69.0 2.7 71.0 1.4 72.0 4.5 73.0 12.7 74.0 2.7 75.0 4.0 79.0 1.6 80.0 1.6 81.0 1.8 82.0 2.7 83.0 4.6 84.0 1.6 85.0 3.6 87.0 2.4 90.0 2.0 91.0 1.6 93.0 2.5 95.0 1.0 96.0 4.4 97.0 46.9 98.0 5.1 99.0 15.5 100.0 1.8 107.0 3.7 109.0 2.6 112.0 4.6 113.0 4.6 120.0 1.5 122.0 1.0 125.0 7.0 126.0 3.4 127.0 2.7 128.0 1.2 129.0 3.5 131.0 2.1 132.0 31.5 133.0 35.3 134.0 22.3 135.0 22.0 136.0 4.7 137.0 3.8 141.0 1.1 148.0 6.5 149.0 2.4 150.0 4.5 151.0 1.6 152.0 1.2 160.0 100.0 161.0 14.6 162.0 67.9 163.0 9.7 164.0 13.2 165.0 2.0 177.0 23.1 178.0 1.8 179.0 14.9 180.0 1.1 181.0 2.9 224.0 48.8 225.0 25.2 226.0 35.3 227.0 17.2 228.0 7.6 229.0 3.5 260.0 46.7 261.0 3.8 262.0 47.3 263.0 3.6 264.0 17.0 265.0 1.3 266.0 2.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H3 Cl3 O3 S 0.048 g : 0.5 ml CDCl3 3,5-dichloro-2-hydroxybenzenesulfonyl chloride 
Assign. Shift(ppm)
A 8.00 B 7.784 C 7.717 J(B,C)=2.5HZ.
Hz ppm Int.716.19 7.997 285 698.88 7.804 483 696.38 7.776 1000 694.19 7.752 25 692.00 7.727 819 689.50 7.699 401 688.25 7.685 31
in CDCl3
KBr disc
nujol mull
