ETHYL PHENYL SULFIDE(622-38-8) ¹³C NMR

Product NameETHYL PHENYL SULFIDE

CAS 622-38-8

Molecular FormulaC8H10S

Molecular Weight138.23

InChIInChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey AEHWKBXBXYNPCX-UHFFFAOYSA-N

SmilesC1(SCC)=CC=CC=C1

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Mass

MS-IW-4767          
(ethylthio)benzene
C8H10S              (Mass of molecular ion:    138)

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

      27.0       4.4
      29.0       4.4
      38.0       1.0
      39.0       6.9
      45.0      25.5
      47.0       1.2
      50.0       3.5
      51.0       9.7
      52.0       1.1
      58.0       2.0
      59.0       3.1
      60.0       2.7
      61.0       2.2
      63.0       2.1
      65.0      12.1
      66.0      17.7
      67.0       1.0
      69.0       6.0
      71.0       1.0
      74.0       1.3
      77.0      10.3
      78.0       4.7
      79.0       4.7
      82.0       1.7
      84.0       6.1
      91.0       2.8
     103.0       1.2
     105.0       3.7
     108.0       3.1
     109.0      16.0
     110.0      60.5
     111.0       5.2
     112.0       2.9
     123.0      66.0
     124.0       5.7
     125.0       3.2
     135.0       1.1
     137.0       1.7
     138.0     100.0
     139.0       9.8
     140.0       4.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₀ S	0.05 ml : 0.5 ml CDCl₃
(ethylthio)benzene

    Assign.     Shift(ppm)

      A             7.31
      B             7.255
      C             7.143
      D             2.912
      E             1.287

     Hz     ppm     Int.

   2926.64   7.324    143
   2925.17   7.320    195
   2923.22   7.315     69
   2920.04   7.307     99
   2919.07   7.305    179
   2918.09   7.302    329
   2917.11   7.300    343
   2915.16   7.295     68
   2907.71   7.276     71
   2906.37   7.273    240
   2904.30   7.268     77
   2900.88   7.259     79
   2898.93   7.254    337
   2897.58   7.251    159
   2892.70   7.239     80
   2890.99   7.234    167
   2889.40   7.230     34
   2862.18   7.162     71
   2860.84   7.159    131
   2859.50   7.156     71
   2855.59   7.146     63
   2853.64   7.141    157
   2851.68   7.136     54
   2847.78   7.126     42
   2846.44   7.123     73
   2845.09   7.119     40
   1175.29   2.941    157
   1167.85   2.923    463
   1160.52   2.904    488
   1153.20   2.886    173
    521.85   1.306    497
    514.40   1.288   1000
    507.08   1.269    526

in CDCl3