50893-36-2

1-氯乙基乙基碳酸酯(50893-36-2)质谱(MS)

产品名称:1-氯乙基乙基碳酸酯

CAS:50893-36-2

分子式:C5H9ClO3

分子量: 152.58

InChI:InChI=1S/C5H9ClO3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3

InChIKey: YVRGKFXJZCTTRB-UHFFFAOYSA-N

Smiles:C(OCC)(=O)OC(Cl)C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9115          
1-chloroethyl ethyl carbonate
C5H9ClO3            (Mass of molecular ion:    152)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.6
      19.0       1.1
      26.0       3.1
      27.0      21.7
      28.0       8.9
      29.0      48.8
      30.0       1.7
      31.0       3.5
      36.0       2.1
      43.0      18.6
      44.0      11.7
      45.0     100.0
      46.0       2.5
      62.0       4.5
      63.0      30.4
      64.0       3.6
      65.0      10.4
      73.0       2.1
      74.0       1.5
      79.0       3.0
      81.0       1.0
      90.0       3.2
      91.0       2.6
     117.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₉ Cl O₃	0.05 ml : 0.5 ml CDCl₃
1-chloroethyl ethyl carbonate

    Assign.     Shift(ppm)

      A             6.441
      B             4.273
      C             1.833
      D             1.343

     Hz     ppm     Int.

   2583.01   6.464    118
   2577.15   6.449    330
   2571.29   6.434    329
   2565.55   6.420    115
   1718.87   4.301    163
   1715.21   4.292     29
   1711.79   4.284    456
   1708.86   4.276     23
   1708.13   4.275     27
   1704.59   4.266    481
   1700.81   4.256     22
   1697.39   4.248    192
    742.43   1.858     20
    735.47   1.841   1000
    729.61   1.826    962
    544.07   1.362    612
    541.26   1.355     39
    536.87   1.344    989
    529.54   1.326    587

in CDCl3