80-11-5

N-甲基-N-亚硝基对甲苯磺酰胺(80-11-5)质谱(MS)

产品名称:N-甲基-N-亚硝基对甲苯磺酰胺

CAS:80-11-5

分子式:C8H10N2O3S

分子量: 214.24

InChI:InChI=1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3

InChIKey: FFKZOUIEAHOBHW-UHFFFAOYSA-N

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

Mass

MS-NW-4899          
N-methyl-N-nitroso-p-toluenesulfonamide
C8H10N2O3S          (Mass of molecular ion:    214)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       4.8
      18.0       1.9
      27.0       1.3
      28.0      18.8
      29.0       1.7
      30.0       2.5
      38.0       1.1
      39.0       9.2
      41.0       2.7
      50.0       2.4
      51.0       3.9
      52.0       1.2
      53.0       1.0
      62.0       1.7
      63.0       5.8
      64.0       1.6
      65.0      21.1
      66.0       1.3
      77.0       4.1
      78.0       1.1
      79.0       3.8
      89.0       5.2
      90.0       2.8
      91.0     100.0
      92.0      15.2
      93.0       1.0
     107.0       9.9
     108.0       1.3
     121.0       2.4
     122.0       4.3
     139.0       1.3
     155.0      35.1
     156.0       3.1
     157.0       1.9
     185.0       1.9
     186.0      31.2
     187.0       3.4
     188.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₀ N₂ O₃ S	0.050 g : 0.5 ml CDCl₃
N-methyl-N-nitroso-p-toluenesulfonamide

    Assign.     Shift(ppm)

      A             7.86
      B             7.38
      C             3.117
      D             2.453

     Hz     ppm     Int.

    708.88   7.916     95
    708.56   7.912     99
    706.88   7.893     35
    702.31   7.842     42
    700.19   7.819    149
    665.13   7.427    107
    664.44   7.419    120
    663.75   7.412     71
    663.00   7.403     45
    662.31   7.396     34
    658.44   7.352     27
    657.69   7.344     36
    657.13   7.338     55
    656.44   7.330     88
    655.75   7.322     73
    279.25   3.119   1000
    219.69   2.453    392

in CDCl3