對甲苯二硫醚(103-19-5)質(zhì)譜(MS)

產(chǎn)品名稱:對甲苯二硫醚

CAS:103-19-5

分子式:C14H14S2

分子量: 246.39

InChI:InChI=1S/C14H14S2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3

InChIKey: TZOVOULUMXXLOJ-UHFFFAOYSA-N

Smiles:S(C1=CC=C(C)C=C1)SC1=CC=C(C)C=C1

Mass

MS-NW-6837          
di(p-tolyl) disulfide
C14H14S2            (Mass of molecular ion:    246)

   Source Temperature: 270 °C
   Sample Temperature: 200 °C
   Reservoir, 75 eV

      27.0       1.6
      28.0       1.7
      39.0       6.4
      41.0       1.0
      45.0      17.2
      50.0       1.2
      51.0       3.6
      52.0       1.2
      53.0       2.3
      62.0       1.1
      63.0       3.2
      65.0       4.3
      69.0       4.0
      70.0       1.1
      71.0       1.6
      77.0      12.4
      78.0       4.5
      79.0      14.8
      80.0       1.3
      82.0       1.0
      89.0       2.3
      90.0       1.1
      91.0      14.8
      92.0       1.7
      95.0       1.0
      97.0       2.2
     108.0       3.6
     121.0       6.5
     122.0       6.4
     123.0      89.8
     124.0      19.6
     125.0       5.2
     154.0       2.0
     167.0       1.3
     181.0       1.0
     182.0       5.2
     198.0       2.0
     199.0       1.0
     213.0       2.4
     214.0       4.7
     246.0     100.0
     247.0      17.4
     248.0      10.8
     249.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₄ S₂	0.038 g : 0.5 ml CDCl₃
di(p-tolyl) disulfide

    Assign.     Shift(ppm)

      A             7.371
      B             7.088
      C             2.300

     Hz     ppm     Int.

   2952.76   7.389     62
   2950.56   7.383    356
   2948.85   7.379    141
   2944.34   7.368    142
   2942.38   7.363    419
   2836.30   7.097    282
   2835.69   7.096    311
   2827.76   7.076    281
    919.19   2.300   1000

in CDCl3