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网站主页CAS数据库列表 38768-08-0更多图谱2-对甲苯磺酰基氧基环庚三烯酮(38768-08-0)红外图谱(IR1)

2-对甲苯磺酰基氧基环庚三烯酮

产品名称 2-对甲苯磺酰基氧基环庚三烯酮

CAS号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
    ChemicalStructure
        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



KBr disc



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