4-Iodobenzenesulfonyl chloride(98-61-3) 1H NMR
Product Name4-Iodobenzenesulfonyl chloride
CAS98-61-3
Molecular FormulaC6H4ClIO2S
Molecular Weight302.52
InChIInChI=1S/C6H4ClIO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H
InChIKey POXFXTSTVWDWIR-UHFFFAOYSA-N
SmilesC1(S(Cl)(=O)=O)=CC=C(I)C=C1
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MassMS-NW-4785 p-iodobenzenesulfonyl chloride C6H4ClIO2S (Mass of molecular ion: 302)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
17.0 1.5 18.0 6.0 36.0 2.9 37.0 2.0 38.0 3.1 39.0 1.3 45.0 1.4 48.0 2.5 49.0 1.6 50.0 47.5 51.0 5.5 61.0 1.2 62.0 1.4 63.0 3.7 64.0 4.2 69.0 2.2 70.0 1.4 73.0 2.5 74.0 15.4 75.0 24.1 76.0 100.0 77.0 11.6 92.0 2.6 95.0 1.1 96.0 3.8 99.0 1.0 101.5 1.4 108.0 1.6 109.0 1.6 111.0 6.4 113.0 2.0 119.0 1.0 127.0 3.1 133.5 1.8 140.0 1.6 191.0 1.9 203.0 89.7 204.0 10.4 219.0 2.0 236.0 2.0 238.0 2.0 251.0 3.6 267.0 79.7 268.0 6.7 269.0 4.1 302.0 56.5 303.0 4.5 304.0 21.1 305.0 1.7 306.0 1.1 330.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H4 Cl I O2 S 0.052 g : 0.5 ml CDCl3 p-iodobenzenesulfonyl chloride 
Assign. Shift(ppm)
A 7.991 B 7.752
Hz ppm Int.723.56 8.080 66 721.44 8.056 532 720.63 8.047 173 719.31 8.032 165 714.69 7.981 222 712.56 7.957 961 710.56 7.934 176 709.75 7.925 52 701.50 7.833 48 701.00 7.828 74 699.06 7.806 175 697.13 7.784 1000 696.50 7.777 305 695.00 7.761 230 690.25 7.708 166 688.25 7.685 514 686.25 7.663 101
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,100M,powder
