598-05-0

硫酸二丙酯[烷基化剂](598-05-0)质谱(MS)

产品名称:硫酸二丙酯[烷基化剂]

CAS:598-05-0

分子式:C6H14O4S

分子量: 182.24

InChI:InChI=1S/C6H14O4S/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3

InChIKey: JYCKNDWZDXGNBW-UHFFFAOYSA-N

Smiles:S(OCCC)(OCCC)(=O)=O

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9143          
dipropyl sulfate
C6H14O4S            (Mass of molecular ion:    182)

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

      27.0       6.9
      28.0       4.4
      29.0       2.6
      31.0       4.1
      39.0       5.0
      40.0       1.7
      41.0      16.7
      42.0      18.7
      43.0     100.0
      44.0       3.4
      45.0       3.0
      55.0       3.3
      56.0       1.2
      59.0       3.5
      64.0       1.5
      73.0      18.4
     141.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₄ O₄ S	0.05 ml : 0.5 ml CDCl₃
dipropyl sulfate

    Assign.     Shift(ppm)

      A             4.225
      B             1.802
      C             1.019

     Hz     ppm     Int.

   1695.31   4.242    486
   1688.84   4.226    789
   1682.25   4.210    465
    737.67   1.846     62
    731.08   1.830    145
    730.10   1.827    199
    727.66   1.821     29
    723.63   1.811    367
    722.78   1.809    239
    717.04   1.795    240
    716.19   1.793    369
    709.59   1.776    200
    708.86   1.774    158
    702.27   1.758     66
    414.43   1.037    644
    407.10   1.019   1000
    402.71   1.008     39
    399.54   1.000    568
    393.92   0.986     22

in CDCl3