2,2’-(亞甲基雙(硫代)二乙酸二丁酯(14338-82-0)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):2,2’-(亞甲基雙(硫代)二乙酸二丁酯

CAS:14338-82-0

分子式:C13H24O4S2

分子量: 308.46

InChI:InChI=1S/C13H24O4S2/c1-3-5-7-16-12(14)9-18-11-19-10-13(15)17-8-6-4-2/h3-11H2,1-2H3

InChIKey: QCWRDNFBMVSDEY-UHFFFAOYSA-N

Smiles:C(SCC(OCCCC)=O)SCC(OCCCC)=O

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-6132          
dibutyl (methylenedithio)diacetate
C13H24O4S2          (Mass of molecular ion:    308)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       4.6
      28.0       2.8
      29.0      26.0
      31.0       1.9
      39.0       2.6
      41.0      27.3
      42.0       3.9
      43.0       3.4
      45.0       5.3
      46.0       4.7
      47.0       6.0
      55.0       6.2
      56.0      46.9
      57.0      73.8
      58.0       3.5
      59.0       3.0
      60.0      22.9
      61.0      12.4
      63.0       2.4
      69.0       1.2
      74.0       1.3
      75.0       1.9
      77.0      22.2
      78.0       2.1
      79.0       3.3
      87.0      15.7
      88.0       1.2
      91.0       2.2
      92.0       1.4
      93.0       2.7
     101.0       1.9
     103.0       2.2
     104.0       2.3
     105.0      83.3
     106.0       4.3
     107.0       5.0
     109.0       3.7
     116.0       2.3
     117.0       2.2
     119.0     100.0
     120.0       5.1
     121.0       9.3
     137.0      58.0
     138.0       2.9
     139.0       5.4
     161.0      10.6
     162.0       1.1
     193.0      45.6
     194.0       4.5
     195.0       4.5
     207.0       5.8
     234.0      20.2
     235.0       7.1
     236.0       2.5
     308.0      15.5
     309.0       2.8
     310.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₂₄ O₄ S₂	0.05 ml : 0.5 ml CDCl₃
dibutyl (methylenedithio)diacetate

    Assign.     Shift(ppm)

      A             4.136
      B             3.949
      C             3.374
      D             1.639
      E             1.395
      F             0.942

     Hz     ppm     Int.

   1659.91   4.154    298
   1653.20   4.137    549
   1646.48   4.120    295
   1578.37   3.950    554
   1348.39   3.374   1000
    669.07   1.675     58
    662.60   1.658    150
    661.87   1.657    156
    659.30   1.650     60
    655.88   1.642    161
    655.03   1.640    194
    652.59   1.633    114
    649.17   1.625     72
    647.22   1.620    166
    640.50   1.603     77
    575.81   1.441     43
    570.19   1.427     34
    568.36   1.423    130
    562.74   1.409     80
    560.79   1.404    180
    555.30   1.390     82
    553.22   1.385    189
    547.97   1.372     39
    545.90   1.366    125
    538.57   1.348     40
    383.79   0.961    465
    376.46   0.942    824
    369.02   0.924    392

in CDCl3