38768-08-0

2-对甲苯磺酰基氧基环庚三烯酮(38768-08-0)核磁图(¹HNMR)

产品名称:2-对甲苯磺酰基氧基环庚三烯酮

CAS:38768-08-0

分子式:C14H12O4S

分子量: 276.31

Mass

MS-IW-8133          
7-oxo-1,3,5-cycloheptatrienyl p-toluenesulfonate
C14H12O4S           (Mass of molecular ion:    276)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      38.0       1.4
      39.0      18.5
      41.0       1.3
      50.0       1.2
      51.0       3.1
      62.0       1.0
      63.0       4.9
      64.0       2.1
      65.0      29.3
      66.0       2.1
      77.0       4.2
      89.0       2.9
      90.0       1.4
      91.0     100.0
      92.0       9.2
      93.0       3.4
     122.0       1.2
     139.0       1.9
     155.0      50.4
     156.0       4.7
     157.0       2.6
     184.0       1.0
     195.0       4.3
     197.0       2.9
     211.0       3.9
     212.0      34.7
     213.0       5.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₄ H₁₂ O₄ S	0.040 g : 0.5 ml DMSO-d₆
7-oxo-1,3,5-cycloheptatrienyl p-toluenesulfonate

    Assign.     Shift(ppm)

      A             7.842
      B             7.490
      C             7.434
      D             7.404
      E             7.271
      F             7.147
      G             7.128
      J             2.436
     
     ASSIGNED BY H-H COSY

     Hz     ppm     Int.

   3140.50   7.859     60
   3138.43   7.853    339
   3136.84   7.849    132
   3131.96   7.837    124
   3130.13   7.833    393
   2997.80   7.502    248
   2997.19   7.500    297
   2989.14   7.480    263
   2988.53   7.478    249
   2976.56   7.448     79
   2975.46   7.446     85
   2968.26   7.428    112
   2967.04   7.425    112
   2963.87   7.417    247
   2956.05   7.397    163
   2954.59   7.393    310
   2916.87   7.299     51
   2916.14   7.297     96
   2915.16   7.295     69
   2908.69   7.279     44
   2907.84   7.276     78
   2906.98   7.274     62
   2906.01   7.272     90
   2905.27   7.270    142
   2904.42   7.268     89
   2897.83   7.251     68
   2896.85   7.249    104
   2896.12   7.247     75
   2863.04   7.164     69
   2862.30   7.163    103
   2861.94   7.162    107
   2861.21   7.160     92
   2855.22   7.145    221
   2854.49   7.143    178
   2853.64   7.141    124
   2852.05   7.137    134
   2850.34   7.133     73
   2842.90   7.114    200
    973.63   2.437   1000

in DMSO-d6