1849-36-1

4-硝基苯硫醇(1849-36-1)質(zhì)譜(MS)

產(chǎn)品名稱:4-硝基苯硫醇

CAS:1849-36-1

分子式:C6H5NO2S

分子量: 155.17

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

InChIKey: AXBVSRMHOPMXBA-UHFFFAOYSA-N

Smiles:C1(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

    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