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3899-90-9

P-TOLUENESULFONIC ACID 3-NITROPHENYL ESTER

Product Name P-TOLUENESULFONIC ACID 3-NITROPHENYL ESTER

CAS3899-90-9

MFC13H11NO5S

MW293.3

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  • 3899-90-9_ms_1
    Mass

    MS-NW-9374          
    m-nitrophenyl p-toluenesulfonate
    C13H11NO5S          (Mass of molecular ion:    293)
    

       Source Temperature: 140 °C
       Sample Temperature:  80 °C
       Direct, 75 eV
    

          18.0       2.9
          28.0       1.2
          30.0       2.0
          38.0       1.1
          39.0       4.0
          41.0       1.4
          51.0       1.8
          62.0       1.0
          63.0       5.7
          64.0       4.1
          65.0      15.8
          66.0       1.0
          77.0       1.4
          89.0       3.4
          90.0       2.2
          91.0     100.0
          92.0       8.8
         139.0       1.8
         155.0      88.9
         156.0       7.7
         157.0       4.5
         293.0      21.8
         294.0       3.5
         295.0       1.4
    

400 MHz in CDCl3

  • 3899-90-9_1hnmr_0

    1H NMR 399.65 MHz
    C13 H11 N O5 S 0.031 g : 0.5 ml CDCl3
    m-nitrophenyl p-toluenesulfonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.143 B 7.811 C 7.736 D 7.528 E 7.423 F 7.365 G 2.474

         Hz     ppm     Int.
    

       3260.38   8.159     94
       3259.40   8.156    100
       3258.30   8.153    102
       3257.20   8.151    100
       3252.20   8.138    102
       3251.10   8.135    107
       3250.00   8.133    113
       3249.02   8.130    106
       3123.90   7.817    159
       3121.70   7.812    295
       3119.51   7.806    159
       3098.27   7.753     45
       3096.31   7.748    328
       3094.48   7.743    114
       3089.72   7.732    114
       3087.77   7.727    377
       3085.94   7.722     58
       3017.46   7.551    128
       3009.16   7.530    288
       3000.98   7.510    174
       2971.68   7.436    123
       2970.70   7.434    131
       2969.36   7.430    124
       2968.38   7.428    124
       2963.50   7.416     90
       2962.52   7.413     87
       2961.18   7.410     91
       2960.21   7.408     84
       2948.12   7.377    238
       2947.51   7.376    271
       2939.45   7.356    245
       2938.96   7.354    218
        988.77   2.475   1000
    

in CDCl3

  • 3899-90-9_13cnmr_0

KBr disc

  • 3899-90-9_ir1_2

nujol mull

  • 3899-90-9_ir2_1