35466-87-6

2,5-二氧杂己二酸二乙酯(35466-87-6)质谱(MS)

产品名称:2,5-二氧杂己二酸二乙酯

CAS:35466-87-6

分子式:C8H14O6

分子量: 206.19

InChI:InChI=1S/C8H14O6/c1-3-11-7(9)13-5-6-14-8(10)12-4-2/h3-6H2,1-2H3

InChIKey: MYNUAGYBVSQRFN-UHFFFAOYSA-N

Smiles:C(=O)(OCC)OCCOC(=O)OCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-8357          
diethyl 2,5-dioxahexanedioate
C8H14O6             (Mass of molecular ion:    206)

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

      15.0       5.1
      18.0       2.4
      19.0       3.3
      26.0       8.2
      27.0      23.5
      28.0      28.3
      29.0      84.9
      30.0       3.7
      31.0      72.6
      32.0       5.3
      33.0       1.2
      41.0       4.1
      42.0       2.5
      43.0      24.4
      44.0      88.3
      45.0     100.0
      46.0       5.2
      47.0       2.4
      57.0       2.1
      58.0       1.0
      59.0      14.1
      61.0       5.8
      63.0      69.0
      72.0       7.6
      73.0       2.1
      74.0       1.0
      75.0       1.0
      76.0      22.6
      77.0       3.1
      88.0       9.3
      89.0      64.7
      90.0       2.8
      91.0      75.1
      92.0       2.6
     104.0      10.7
     105.0       1.8
     116.0      12.9
     117.0      17.8
     118.0       2.6
     119.0       3.5

parameter in CDCl3

¹H NMR	300 MHz
C₈ H₁₄ O₆	0.05 ml : 0.5 ml CDCl₃
diethyl 2,5-dioxahexanedioate

    Parameter     ppm  Hz

      D(A)         4.359
     
      D(B)         4.212
      D(C)         1.314
       J(B,C)          7.20

     Hz     ppm     Int.

   1307.69   4.359   1000
   1274.46   4.248    122
   1267.25   4.224    367
   1260.06   4.200    375
   1252.87   4.176    127
    401.37   1.338    379
    394.18   1.314    747
    387.00   1.290    367

in CDCl3