Sulfanilamide(63-74-1) IR1
Product NameSulfanilamide
CAS63-74-1
Molecular FormulaC6H8N2O2S
Molecular Weight172.2
InChIInChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
InChIKey FDDDEECHVMSUSB-UHFFFAOYSA-N
SmilesC1(S(N)(=O)=O)=CC=C(N)C=C1
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MassMS-NW-0308 sulfanilamide C6H8N2O2S (Mass of molecular ion: 172)
Source Temperature: 180 °C Sample Temperature: 150 °C Direct, 75 eV
27.0 1.3 28.0 3.7 37.0 1.1 38.0 3.6 39.0 14.7 40.0 1.4 41.0 5.5 42.0 1.6 50.0 1.8 51.0 2.0 52.0 5.4 53.0 3.9 54.0 4.2 61.0 1.2 62.0 3.2 63.0 8.0 64.0 6.8 65.0 54.7 66.0 6.6 80.0 7.7 81.0 1.2 90.0 1.5 91.0 4.7 92.0 78.4 93.0 5.9 107.0 2.9 108.0 43.8 109.0 4.8 140.0 2.8 156.0 81.9 157.0 6.7 158.0 4.2 172.0 100.0 173.0 8.1 174.0 5.1
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C6 H8 N2 O2 S 0.044 g : 0.5 ml DMSO-d6 sulfanilamide 
Assign. Shift(ppm)
A 7.45 B 6.86 C 6.59 D 5.76
Hz ppm Int.674.63 7.533 79 672.00 7.504 722 670.00 7.482 213 668.06 7.460 45 667.56 7.454 46 665.19 7.428 243 663.25 7.406 862 660.63 7.377 103 659.44 7.364 33 614.06 6.857 782 600.06 6.701 34 599.19 6.691 32 598.75 6.686 36 596.81 6.664 123 594.25 6.636 1000 592.13 6.612 250 590.56 6.595 41 589.75 6.585 44 589.38 6.581 44 587.38 6.559 241 585.31 6.536 704 583.63 6.517 55 582.75 6.507 80 516.19 5.764 535
in DMSO-d6
KBr disc
nujol mull
