Diallyl sulfide(592-88-1) Raman

Product NameDiallyl sulfide

CAS 592-88-1

Molecular FormulaC6H10S

Molecular Weight114.21

InChIInChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2

InChIKey UBJVUCKUDDKUJF-UHFFFAOYSA-N

SmilesS(CC=C)CC=C

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Mass

MS-NW-3308          
diallyl sulfide
C6H10S              (Mass of molecular ion:    114)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.1
      26.0       2.0
      27.0       8.5
      29.0       2.2
      37.0       2.7
      38.0       6.3
      39.0      62.0
      40.0       5.0
      41.0      81.5
      42.0       4.2
      44.0       1.0
      45.0     100.0
      46.0       7.7
      47.0      17.2
      53.0       4.0
      54.0       2.1
      55.0       3.3
      58.0       3.2
      59.0       3.5
      60.0       5.3
      65.0       2.0
      66.0       1.1
      67.0      12.3
      68.0      11.1
      69.0       3.2
      71.0      21.9
      72.0      53.4
      73.0      80.6
      74.0       7.2
      75.0       4.0
      77.0       1.4
      79.0       5.7
      80.0      17.5
      81.0      22.1
      82.0       1.6
      85.0      10.7
      86.0       7.3
      87.0       4.2
      91.0       1.1
      99.0      26.8
     100.0       1.7
     101.0       1.4
     113.0       3.4
     114.0      48.7
     115.0       4.1
     116.0       2.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₀ S	0.04 ml : 0.5 ml CDCl₃
diallyl sulfide

    Assign.     Shift(ppm)

      A             5.75
      B             5.11
      C             5.10
      D             3.086

     Hz     ppm     Int.

    538.50   6.013    103
    531.56   5.936    199
    529.50   5.913     99
    526.31   5.877     52
    524.63   5.858    120
    522.50   5.835    183
    520.81   5.816    136
    519.13   5.797     88
    517.31   5.777     81
    515.63   5.758    111
    513.88   5.738    255
    511.81   5.715    258
    510.81   5.704     69
    507.00   5.662    159
    504.88   5.638    432
    498.06   5.562    257
    465.63   5.200     62
    464.50   5.187    111
    463.63   5.177    406
    462.50   5.165    803
    461.13   5.149   1000
    460.19   5.139    527
    453.00   5.059    161
    452.06   5.048    321
    451.06   5.037    276
    450.13   5.027    332
    449.25   5.017    212
    448.06   5.003    164
    446.88   4.990    301
    445.69   4.977    240
    444.94   4.969    282
    443.69   4.955    157
    280.06   3.128    914
    279.13   3.117    647
    274.06   3.061    519
    273.13   3.050    853
    272.13   3.039    601

in CDCl3