63-74-1

結(jié)晶磺胺(63-74-1)紅外圖譜(IR2)

產(chǎn)品名稱:結(jié)晶磺胺

CAS:63-74-1

分子式:C6H8N2O2S

分子量: 172.2

InChI:InChI=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

Smiles:C1(S(N)(=O)=O)=CC=C(N)C=C1

Mass

MS-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

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