ACETOHEXAMIDE(968-81-0) MS

Molecular FormulaC15H20N2O4S

Molecular Weight324.4

InChIInChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)

InChIKey VGZSUPCWNCWDAN-UHFFFAOYSA-N

SmilesC1(S(NC(NC2CCCCC2)=O)(=O)=O)=CC=C(C(C)=O)C=C1

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Mass

MS-IW-3427          
p-acetyl-N-(cyclohexylcarbamoyl)benzenesulfonamide
C15H20N2O4S         (Mass of molecular ion:    324)

   Source Temperature: 150 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       1.1
      27.0       2.0
      28.0       3.8
      29.0       1.4
      30.0       3.8
      38.0       1.2
      39.0       3.5
      41.0       2.9
      42.0       3.1
      43.0      27.5
      44.0       1.3
      50.0       7.8
      51.0       2.9
      52.0       1.3
      53.0       1.1
      54.0       1.4
      55.0       1.9
      56.0      68.6
      57.0       3.6
      62.0       1.0
      63.0       2.5
      64.0       1.5
      65.0       1.7
      67.0       1.6
      70.0       5.4
      74.0       3.2
      75.0      11.7
      76.0      10.8
      77.0       4.1
      78.0       1.1
      81.0       1.1
      82.0       1.3
      89.0       1.2
      90.0       2.6
      91.0       7.4
      92.0       2.4
      98.0       2.7
      99.0      11.9
     104.0       6.7
     107.0       1.3
     119.0       6.1
     120.0       9.1
     121.0       1.1
     139.0       1.9
     141.0       1.8
     152.0       1.1
     182.0       7.1
     183.0       4.0
     184.0       2.7
     210.0     100.0
     211.0      10.1
     212.0       5.7
     225.0      14.5
     226.0       1.7
     243.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₅ H₂₀ N₂ O₄ S	0.040 g : 0.5 ml DMSO-d₆
p-acetyl-N-(cyclohexylcarbamoyl)benzenesulfonamide

    Assign.     Shift(ppm)

      A            10.56
      B             8.150
      C             8.041
      D             6.45
      E             3.282
      F             2.649
      G             1.66
      J             1.59
      K             1.485
      L             1.20
      M             1.12
      N             1.10
     
     J(D,E)=8.0HZ
     ASSIGNED BY C-H AND H-H COSY.

     Hz     ppm     Int.

   3262.18   8.163    189
   3260.19   8.158     68
   3255.46   8.146     79
   3253.33   8.141    270
   3251.65   8.137     50
   3218.84   8.055     46
   3217.16   8.050    284
   3215.18   8.045     80
   3210.45   8.034     67
   3208.47   8.029    190
   3206.63   8.024     30
   2582.09   6.461     31
   2574.31   6.442     32
   1058.65   2.649   1000
    666.96   1.669     45
    662.38   1.658     37
    656.89   1.644     44
    654.60   1.638     44
    644.99   1.614     32
    644.38   1.613     31
    641.63   1.606     37
    637.66   1.596     34
    632.32   1.583     42
    628.66   1.574     48
    490.26   1.227     37
    478.67   1.198     48
    465.85   1.166     42
    463.56   1.160     47
    461.43   1.155     46
    451.35   1.130     63
    441.89   1.106     49
    439.00   1.099     50

in DMSO-d6