2,4-Dichloro-5-sulfamoylbenzoic acid(2736-23-4) MS
Product Name2,4-Dichloro-5-sulfamoylbenzoic acid
CAS2736-23-4
Molecular FormulaC7H5Cl2NO4S
Molecular Weight270.09
InChIInChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
InChIKey ZSHHRBYVHTVRFK-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(S(N)(=O)=O)=C(Cl)C=C1Cl
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MassMS-KW-0173 2,4-dichloro-5-sulfamoylbenzoic acid C7H5Cl2NO4S (Mass of molecular ion: 269)
Source Temperature: 190 °C Sample Temperature: 190 °C Direct, 75 eV
16.0 1.7 17.0 2.7 18.0 10.7 27.0 3.1 28.0 20.6 29.0 1.1 32.0 1.5 35.0 2.1 36.0 21.6 37.0 4.1 38.0 8.7 39.0 1.0 44.0 13.2 45.0 8.2 46.0 2.5 47.0 1.4 48.0 6.4 49.0 2.9 50.0 7.3 51.0 3.0 52.0 1.2 53.0 4.4 54.0 2.0 55.0 1.1 60.0 1.6 61.0 5.1 62.0 8.3 63.0 10.3 64.0 50.9 65.0 2.6 66.0 3.5 68.0 1.5 69.0 3.0 71.0 1.1 72.0 4.3 73.0 22.0 74.0 46.7 75.0 13.8 76.0 2.3 77.0 1.4 78.0 1.6 79.0 2.0 80.0 6.2 81.0 1.2 83.0 3.7 84.0 10.3 84.5 2.1 85.0 7.0 86.0 4.5 87.0 4.8 88.0 1.1 89.0 2.4 90.0 3.1 91.0 1.9 93.0 1.3 95.0 1.0 96.0 1.9 97.0 15.7 98.0 3.3 99.0 6.7 100.0 1.6 101.0 1.5 105.0 1.2 106.0 1.1 107.0 3.4 108.0 10.7 109.0 30.0 110.0 7.7 111.0 10.6 112.0 1.9 113.0 2.2 114.0 1.2 115.0 1.1 118.0 1.2 119.0 1.2 123.0 1.0 124.0 2.7 125.0 8.7 126.0 8.6 127.0 3.6 128.0 3.1 129.0 1.6 131.0 1.2 132.0 1.5 133.0 64.2 134.0 5.0 135.0 40.9 136.0 3.1 137.0 8.5 139.0 1.0 140.0 1.1 141.0 2.7 142.0 2.1 143.0 7.3 144.0 13.3 145.0 8.1 146.0 8.2 147.0 3.3 148.0 1.9 149.0 2.3 151.0 1.6 152.0 1.3 153.0 6.0 154.0 2.0 155.0 2.2 159.0 1.5 160.0 5.1 161.0 8.0 162.0 5.0 163.0 5.4 164.0 1.9 165.0 1.5 169.0 3.0 170.0 5.7 171.0 6.6 172.0 6.7 173.0 6.5 174.0 4.0 175.0 3.3 176.0 1.6 177.0 2.2 178.0 1.6 179.0 1.2 186.0 2.9 187.0 3.3 188.0 4.7 189.0 60.4 190.0 9.0 191.0 39.0 192.0 5.0 193.0 7.0 194.0 1.0 205.0 50.2 206.0 100.0 207.0 40.6 208.0 64.6 209.0 11.8 210.0 10.8 211.0 1.7 216.0 1.0 225.0 1.2 234.0 6.1 235.0 1.4 236.0 2.3 237.0 1.8 252.0 10.8 253.0 41.1 254.0 11.0 255.0 28.9 256.0 4.0 257.0 5.9 268.0 1.0 269.0 98.6 270.0 10.0 271.0 68.8 272.0 6.4 273.0 13.5 274.0 1.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H5 Cl2 N O4 S 0.040 g : 0.5ml DMSO-d6 2,4-dichloro-5-sulfamoylbenzoic acid 
Assign. Shift(ppm)
A 14.0 B 8.397 C 7.990 D 7.87
Hz ppm Int.5589.97 13.988 35 3355.91 8.398 928 3193.51 7.991 1000 3147.35 7.876 803
in DMSO-d6
KBr disc
