629-19-6

二丙基二硫(629-19-6)红外图谱(IR2)

产品名称:二丙基二硫

CAS:629-19-6

分子式:C6H14S2

分子量: 150.31

InChI:InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3

InChIKey: ALVPFGSHPUPROW-UHFFFAOYSA-N

Smiles:S(CCC)SCCC

Mass

MS-NW-1258          
dipropyl disulfide
C6H14S2             (Mass of molecular ion:    150)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0      13.3
      28.0       1.6
      29.0       2.3
      39.0       5.9
      41.0      22.6
      42.0       1.9
      43.0     100.0
      44.0       3.4
      45.0       4.4
      46.0       2.2
      47.0       3.5
      66.0       7.4
      73.0       3.4
      74.0       4.0
      75.0       1.4
      79.0       2.3
     108.0      23.9
     109.0       1.2
     110.0       2.0
     150.0      33.7
     151.0       2.8
     152.0       3.1

90 MHz in CDCl3

parameter in CCl4

¹H NMR	89.56 MHz
C₆ H₁₄ S₂	0.04 ml : 0.5 ml CDCl₃
dipropyl disulfide

    Assign.     Shift(ppm)

      A             2.66
      B             1.70
      C             1.00

     Hz     ppm     Int.

    246.50   2.753    291
    245.88   2.746    270
    239.38   2.673    628
    238.19   2.660    283
    232.13   2.592    431
    171.75   1.918     39
    171.38   1.914     37
    164.81   1.841     83
    163.88   1.830    186
    157.69   1.761    162
    156.94   1.753    209
    156.25   1.745    237
    150.19   1.677    220
    149.06   1.665    295
    144.19   1.610     64
    142.19   1.588    192
    135.75   1.516     52
    135.19   1.510     49
     95.94   1.072    561
     92.00   1.028     30
     89.06   0.995   1000
     82.19   0.918    204
     81.44   0.910    337
     80.50   0.899    185

¹H NMR	300 MHz
C₆ H₁₄ S₂	in CCl₄
dipropyl disulfide

    Parameter     ppm  Hz

      D(A)         2.63
      D(B)         1.71
      D(C)         1.03
       J(A,B)          7.2
       J(A,C)          0.0
       J(B,C)          7.5
     
     CAVANAUGH,J.R. & DAILEY,B.P. J.CHEM.PHYS. 34, 1094 (1961)

     Hz     ppm     Int.

    796.28   2.654    338
    789.09   2.630    712
    781.91   2.606    376
    531.55   1.772     43
    524.06   1.747    173
    516.75   1.722    344
    509.38   1.698    346
    502.05   1.673    192
    494.70   1.649     47
    316.34   1.054    511
    308.88   1.030   1000
    301.39   1.005    431

in CDCl3