4532-64-3

2,3-丁二硫醇(4532-64-3)質(zhì)譜(MS)

產(chǎn)品名稱:2,3-丁二硫醇

CAS:4532-64-3

分子式:C4H10S2

分子量: 122.25

InChI:InChI=1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3

InChIKey: TWWSEEHCVDRRRI-UHFFFAOYSA-N

Smiles:CC(S)C(S)C

Mass

MS-NW-9309          
2,3-butanedithiol
C4H10S2             (Mass of molecular ion:    122)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.1
      27.0      13.5
      28.0       2.7
      29.0      11.7
      32.0       1.1
      33.0       1.6
      34.0       3.3
      35.0       9.5
      39.0       9.8
      41.0       8.4
      43.0       1.2
      44.0       1.2
      45.0      14.6
      46.0       1.7
      47.0      11.1
      50.0       1.2
      51.0       1.5
      53.0       6.0
      54.0       2.3
      55.0      64.0
      56.0       6.7
      57.0       1.2
      58.0       4.1
      59.0      18.9
      60.0      38.6
      61.0     100.0
      62.0       7.4
      63.0       6.8
      71.0       2.0
      73.0       5.3
      76.0       1.1
      87.0       1.1
      88.0      21.9
      89.0      42.7
      90.0       3.1
      91.0       1.9
     122.0      37.8
     123.0       2.3
     124.0       3.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₁₀ S₂	0.05 ml : 0.5 ml CDCl₃
2,3-butanedithiol

    Assign.     Shift(ppm)

      A             3.11
      A             3.07
      B             1.747
      B             1.640
      C             1.382
      C             1.370
     
     OPTICAL ISOMERS

     Hz     ppm     Int.

   1250.98   3.131     53
   1248.90   3.125     68
   1247.19   3.121     48
   1245.85   3.118    127
   1244.26   3.114    136
   1242.92   3.111    106
   1241.94   3.108    101
   1240.36   3.104    172
   1239.01   3.101    257
   1237.55   3.097    140
   1236.08   3.093    108
   1234.99   3.091    135
   1233.52   3.087    250
   1229.00   3.076    102
   1228.27   3.074    102
   1227.29   3.071    161
   1224.61   3.065     68
   1223.63   3.062     88
   1222.29   3.059     55
   1220.70   3.055     67
   1216.92   3.045     41
    704.96   1.764     47
    701.90   1.757    240
    694.82   1.739    234
    692.02   1.732     54
    661.50   1.656     72
    659.18   1.650    323
    651.73   1.631    314
    649.41   1.625     82
    569.09   1.424     30
    565.80   1.416     55
    557.98   1.397    270
    555.91   1.391   1000
    550.90   1.379    864
    549.07   1.374    979
    545.65   1.366    411
    544.43   1.363    709
    544.07   1.362    715
    541.26   1.355    216
    535.64   1.341     78
    534.55   1.338     72
    534.06   1.337     72
    531.74   1.331     49
    528.93   1.324     40
    526.25   1.317     34

in CDCl3