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Back ChemicalBook Home>CAS DataBase List>1849-36-1More Spectrum> 4-NITROTHIOPHENOL(1849-36-1) MS

4-NITROTHIOPHENOL(1849-36-1) MS

Product Name4-NITROTHIOPHENOL

CAS1849-36-1

Molecular FormulaC6H5NO2S

Molecular Weight155.17

InChIInChI=1S/C6H5NO2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H

InChIKey AXBVSRMHOPMXBA-UHFFFAOYSA-N

SmilesC1(S)=CC=C([N+]([O-])=O)C=C1


  • Mass

    MS-IW-3898          
    p-nitrobenzenethiol
    C6H5NO2S            (Mass of molecular ion:    155)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       2.5
          30.0       5.8
          37.0       1.6
          38.0       2.7
          39.0       9.9
          44.0       1.3
          45.0      10.6
          49.0       1.0
          50.0       8.2
          51.0       4.9
          53.0       4.7
          57.0       2.3
          58.0       5.2
          59.0       1.9
          61.0       2.0
          62.0       3.6
          63.0      10.2
          64.0       2.2
          65.0      46.4
          66.0       2.6
          69.0      23.2
          70.0       2.9
          71.0       2.5
          73.0       1.0
          74.0       4.8
          75.0       4.0
          76.0       2.6
          81.0       2.4
          82.0       7.7
          83.0       4.0
          96.0       2.1
          97.0      15.9
          98.0       1.5
         107.0       1.0
         108.0      11.6
         109.0      49.0
         110.0       4.1
         111.0       2.3
         124.0       1.2
         125.0      31.0
         126.0       2.3
         127.0       1.5
         139.0       2.0
         154.0       1.6
         155.0     100.0
         156.0       8.0
         157.0       5.1
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C6 H5 N O2 S 0.040 g : 0.5 ml CDCl3
    p-nitrobenzenethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.084 B 7.357 C 3.808

         Hz     ppm     Int.
    

       3238.40   8.104     89
       3235.84   8.097    714
       3233.64   8.092    255
       3231.45   8.086     42
       3228.88   8.080    248
       3226.81   8.075    791
       3224.24   8.068    117
       2947.51   7.376    107
       2944.82   7.369    825
       2942.75   7.364    291
       2940.43   7.358     42
       2937.99   7.352    264
       2935.79   7.346    804
       2933.23   7.340    118
       1524.78   3.816     21
       1521.97   3.809   1000
    

in CDCl3



KBr disc



nujol mull



4-NITROTHIOPHENOL(1849-36-1) MS Atlas of Related Products

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