1122-83-4

N-THIONYLANILINE(1122-83-4) ¹³C NMR

Product NameN-THIONYLANILINE

CAS 1122-83-4

Molecular FormulaC6H5NOS

Molecular Weight139.18

InChIInChI=1S/C6H5NOS/c8-9-7-6-4-2-1-3-5-6/h1-5H

InChIKey FIOJWGRGPONADF-UHFFFAOYSA-N

SmilesC1(N=S=O)=CC=CC=C1

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N-THIONYLANILINE(1122-83-4) <sup>13</sup>C NMR
Mass

MS-NW-1002          
N-sulfinylaniline
C6H5NOS             (Mass of molecular ion:    139)

   Source Temperature: 260 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      18.0       1.7
      26.0       1.4
      27.0       3.2
      28.0       3.8
      32.0       1.3
      37.0       5.4
      38.0      10.9
      39.0      15.9
      40.0       2.7
      41.0       5.7
      45.0      18.0
      46.0       1.1
      48.0       5.0
      50.0       6.3
      51.0      14.0
      52.0       6.3
      53.0       2.3
      55.5       1.7
      58.0       2.2
      61.0       2.4
      62.0       4.0
      63.0      17.6
      64.0      33.5
      65.0      18.3
      66.0       4.9
      67.0      21.3
      68.0       1.1
      74.0       1.4
      75.0       1.0
      76.0       1.0
      77.0       7.6
      78.0       7.1
      79.0       1.0
      84.0      25.2
      85.0       3.3
      86.0       1.7
      90.0       3.7
      91.0      24.6
      92.0       3.3
      93.0      13.2
      94.0       1.0
      96.0       1.0
     106.0       1.6
     110.0      16.7
     111.0      35.0
     112.0       6.8
     113.0       1.9
     122.0       2.3
     123.0       1.3
     138.0       6.1
     139.0     100.0
     140.0       8.2
     141.0       4.9

90 MHz in CDCl3

N-THIONYLANILINE(1122-83-4) <sup>13</sup>C NMR

¹H NMR	89.56 MHz
C₆ H₅ N O S	0.02 ml : 0.5 ml CDCl₃
N-sulfinylaniline

    Assign.     Shift(ppm)

      A             7.849
      B          7.30 to 7.51

     Hz     ppm     Int.

    708.44   7.911    350
    704.75   7.870    446
    703.25   7.853    306
    701.06   7.828    466
    700.00   7.816    269
    698.56   7.800    578
    669.31   7.474    200
    666.38   7.441    600
    665.63   7.433    490
    664.19   7.417    321
    662.44   7.397    657
    661.31   7.384    316
    659.63   7.366   1000
    658.63   7.355    257
    658.25   7.350    256

in CDCl3