19816-88-7

1,3-二苯基丙酮-对甲苯磺酸腙(19816-88-7)质谱(MS)

CAS:19816-88-7

分子式:C22H22N2O2S

分子量: 378.49

InChI:InChI=1S/C22H22N2O2S/c1-18-12-14-22(15-13-18)27(25,26)24-23-21(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15,24H,16-17H2,1H3

InChIKey: GDXUEUWCUUAZFM-UHFFFAOYSA-N

Smiles:C1(S(N/N=C(\CC2=CC=CC=C2)/CC2=CC=CC=C2)(=O)=O)=CC=C(C)C=C1

Mass

MS-IW-0825          
1,3-diphenylacetone tosylhydrazone
C22H22N2O2S         (Mass of molecular ion:    378)

   Source Temperature: 190 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      28.0       7.2
      39.0       4.5
      41.0       1.3
      45.0       1.2
      50.0       1.4
      51.0       4.0
      62.0       1.1
      63.0       4.0
      64.0       3.0
      65.0      18.4
      66.0       1.2
      67.0       1.3
      76.0       1.5
      77.0      10.9
      78.0       2.7
      79.0       4.3
      80.0       1.1
      82.0       1.0
      82.5       1.2
      89.0       6.8
      90.0       2.5
      91.0      95.5
      92.0      29.0
      93.0       2.1
      94.5       1.1
      95.0       1.0
     102.0       2.3
     103.0      19.3
     104.0       2.4
     106.0      10.2
     107.0       4.9
     108.0       2.6
     115.0      43.4
     116.0      33.8
     117.0      16.2
     118.0       2.3
     123.0       1.8
     124.0       3.6
     128.0       1.5
     131.0       4.7
     132.0      14.5
     133.0       1.5
     139.0      14.4
     140.0       5.1
     141.0       1.4
     145.0       5.2
     152.0       2.8
     153.0       1.2
     156.0      12.3
     157.0       1.6
     165.0       7.7
     166.0       2.6
     167.0       4.3
     176.0       1.0
     177.0       1.4
     178.0      26.7
     179.0      43.4
     180.0       6.6
     189.0       3.4
     190.0       1.8
     191.0       6.3
     192.0       5.4
     193.0      56.7
     194.0     100.0
     195.0      15.8
     196.0       3.2
     206.0       1.7
     221.0       1.2
     222.0       2.4
     223.0      83.1
     224.0      14.3
     225.0       1.2
     378.0       1.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₂ H₂₂ N₂ O₂ S	0.035 g : 0.5 ml DMSO-d₆
1,3-diphenylacetone tosylhydrazone

    Assign.     Shift(ppm)

      A            10.5
      B             7.737
      C             7.428
      D             7.291
      E             7.241
      F             7.17
      G             7.097
      J             6.847
      K     *1      3.525
      L     *1      3.292
      M             2.438

     Hz     ppm     Int.

   4194.18  10.495    270
   3096.62   7.749    361
   3094.94   7.745    129
   3088.38   7.728    420
   2972.87   7.439    306
   2972.26   7.438    326
   2964.32   7.418    296
   2924.19   7.317     78
   2922.82   7.314    128
   2921.14   7.310     60
   2915.80   7.296    325
   2914.28   7.293    188
   2909.85   7.281    137
   2908.48   7.278    298
   2906.34   7.273     57
   2900.39   7.258     90
   2899.02   7.254    161
   2897.64   7.251    102
   2894.13   7.242     60
   2891.85   7.236    172
   2888.95   7.229     41
   2885.74   7.221     39
   2884.52   7.218     54
   2883.15   7.215     34
   2873.23   7.190     61
   2869.72   7.181    495
   2867.89   7.177    467
   2864.69   7.168    303
   2863.01   7.164    285
   2860.41   7.158     70
   2858.89   7.154     90
   2855.38   7.145     30
   2854.31   7.143     30
   2853.55   7.141     33
   2839.66   7.106    243
   2838.13   7.102    306
   2831.42   7.085    254
   2744.29   6.867     30
   2740.94   6.859    185
   2738.95   6.854    218
   2735.44   6.845    189
   2734.53   6.843    171
   2731.32   6.835    173
   1409.00   3.526    551
   1315.92   3.293    605
    974.43   2.439   1000

in DMSO-d6