4-Chlorobenzenesulfonamide(98-64-6) MS
Product Name4-Chlorobenzenesulfonamide
CAS98-64-6
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64
InChIInChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey HHHDJHHNEURCNV-UHFFFAOYSA-N
SmilesC1(S(N)(=O)=O)=CC=C(Cl)C=C1
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MassMS-NW-7211 p-chlorobenzenesulfonamide C6H6ClNO2S (Mass of molecular ion: 191)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 1.7 18.0 8.0 28.0 2.1 37.0 1.9 38.0 2.8 39.0 2.5 45.0 1.0 45.5 1.1 48.0 1.2 49.0 1.6 50.0 19.3 51.0 8.1 61.0 2.1 62.0 1.4 63.0 3.3 63.5 1.6 64.0 7.5 65.0 4.0 69.0 1.3 73.0 4.2 74.0 12.2 75.0 46.5 76.0 8.9 77.0 1.1 80.0 1.1 84.0 1.5 85.0 4.6 87.0 2.0 92.0 1.6 99.0 3.7 100.0 1.2 101.0 1.2 108.0 1.1 110.0 1.8 111.0 100.0 112.0 7.3 113.0 32.5 114.0 2.5 127.0 17.5 128.0 30.4 129.0 7.9 130.0 9.9 131.0 1.5 159.0 1.0 175.0 47.8 176.0 3.6 177.0 18.0 178.0 1.3 191.0 50.4 192.0 4.5 193.0 18.9 194.0 1.7 195.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H6 Cl N O2 S 0.036 g : 0.5 ml DMSO-d6 p-chlorobenzenesulfonamide 
Assign. Shift(ppm)
A 7.847 B 7.664 C 7.49
Hz ppm Int.3140.99 7.860 798 3139.04 7.855 345 3134.28 7.843 386 3132.32 7.838 999 3129.88 7.832 187 3067.14 7.675 1000 3065.19 7.670 383 3060.30 7.658 346 3058.47 7.653 794 3056.03 7.647 151 3050.54 7.634 23 3009.28 7.530 26 3008.91 7.529 27 3008.18 7.528 29 2994.87 7.494 836 2982.79 7.464 37 2982.18 7.462 34 2980.71 7.459 29 2979.49 7.456 24
KBr disc
nujol mull
