Benzenesulfonamide(98-10-2) IR1
Product NameBenzenesulfonamide
CAS98-10-2
Molecular FormulaC6H7NO2S
Molecular Weight157.19
InChIInChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKey KHBQMWCZKVMBLN-UHFFFAOYSA-N
SmilesC1(S(N)(=O)=O)=CC=CC=C1
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MassMS-NW-0184 benzenesulfonamide C6H7NO2S (Mass of molecular ion: 157)
Source Temperature: 170 °C Sample Temperature: 0 °C Direct, 75 eV
16.0 1.7 27.0 3.0 32.0 1.3 37.0 1.2 38.0 2.6 39.0 7.6 45.0 1.0 46.0 1.5 48.0 1.9 49.0 1.4 50.0 19.9 51.0 48.2 52.0 2.8 62.0 1.1 63.0 2.0 64.0 4.4 65.0 6.3 66.0 6.0 69.0 1.5 73.0 1.3 74.0 7.3 75.0 4.5 76.0 4.9 77.0 100.0 78.0 7.4 80.0 2.9 92.0 1.9 93.0 46.3 94.0 16.1 95.0 1.3 97.0 1.9 125.0 2.8 141.0 20.6 142.0 1.5 143.0 1.0 157.0 31.1 158.0 2.8 159.0 1.6
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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1H NMR 89.56 MHz C6 H7 N O2 S 0.046 g : 0.5 ml DMSO-d6 benzenesulfonamide 
Assign. Shift(ppm)
A 7.84 B 7.70 to 7.47 C 7.33
Hz ppm Int.711.81 7.948 36 708.19 7.908 271 706.50 7.889 199 705.56 7.879 237 704.31 7.865 94 703.69 7.858 161 703.19 7.852 179 702.00 7.839 365 700.81 7.826 187 699.44 7.810 275 698.44 7.799 429 697.44 7.788 165 696.94 7.782 107 696.06 7.772 38 695.25 7.763 65 693.94 7.749 67 688.00 7.683 35 685.06 7.650 134 684.63 7.645 114 683.13 7.628 141 681.25 7.607 1000 679.69 7.590 345 678.69 7.579 649 676.50 7.554 266 675.56 7.544 259 675.19 7.539 283 674.38 7.530 406 673.44 7.520 83 672.25 7.507 94 671.06 7.493 104 670.06 7.482 44 664.81 7.424 32 663.13 7.405 33 656.88 7.335 370 651.25 7.272 40
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1H NMR 399.65 MHz C6 H7 N O2 S 0.040 g : 0.5 ml DMSO-d6 benzenesulfonamide Assign. Shift(ppm)
A 7.851 B 7.58 C 7.37
Hz ppm Int.3145.26 7.871 56 3142.33 7.863 440 3140.87 7.860 489 3139.28 7.856 255 3138.43 7.853 209 3136.84 7.849 200 3134.77 7.844 440 3132.81 7.839 540 3128.78 7.829 30 3128.05 7.827 30 3046.14 7.623 49 3044.31 7.618 50 3039.31 7.605 150 3037.96 7.602 193 3035.28 7.595 239 3034.42 7.593 383 3032.71 7.589 1000 3030.76 7.584 436 3029.30 7.580 229 3026.98 7.575 270 3025.51 7.571 475 3022.34 7.563 96 3021.48 7.561 109 3019.90 7.557 141 3018.31 7.553 81 3016.60 7.549 101 2946.41 7.373 659
in DMSO-d6
KBr disc
nujol mull
