對甲苯磺酰肼(1576-35-8)核磁圖(¹³CNMR)

產(chǎn)品名稱:對甲苯磺酰肼

CAS:1576-35-8

分子式:C7H10N2O2S

分子量: 186.23

InChI:InChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3

InChIKey: ICGLPKIVTVWCFT-UHFFFAOYSA-N

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

Mass

MS-NW-4854          
p-toluenesulfonohydrazide
C7H10N2O2S          (Mass of molecular ion:    186)

   Source Temperature: 190 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      17.0       1.5
      18.0       8.3
      27.0       1.9
      28.0       4.1
      29.0       6.0
      30.0       5.5
      31.0      56.3
      38.0       1.5
      39.0      14.5
      40.0       1.2
      41.0       4.7
      45.0       2.5
      48.0       1.1
      50.0       3.1
      51.0       5.9
      52.0       2.0
      53.0       1.5
      62.0       2.1
      63.0       7.9
      64.0       2.3
      65.0      36.7
      66.0       2.4
      67.0       1.4
      77.0      10.3
      78.0       2.9
      79.0       7.4
      80.0       3.3
      89.0       6.7
      90.0       4.1
      91.0     100.0
      92.0      84.4
      93.0      16.9
      94.0       1.1
     106.0       2.9
     107.0       9.1
     108.0       7.6
     111.0       1.5
     123.0       2.5
     124.0       3.2
     139.0      20.4
     140.0       3.5
     141.0       1.1
     155.0       4.2
     156.0      25.1
     157.0      48.6
     158.0       5.7
     159.0       2.6
     186.0      16.5
     187.0       1.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₁₀ N₂ O₂ S	0.039 g : 0.5 ml DMSO-d₆
p-toluenesulfonohydrazide

    Assign.     Shift(ppm)

      A             8.32
      B             7.702
      C             7.405
      D             4.0
      E             2.389

     Hz     ppm     Int.

   3325.68   8.322     96
   3082.64   7.714    322
   3074.46   7.693    361
   2963.38   7.415    315
   2955.20   7.395    276
   1608.89   4.026     22
    955.08   2.390   1000

in CDCl3

in DMSO-d6