1,1,2-乙烷三羧酸三乙酯(7459-46-3)Raman光譜

產(chǎn)品名稱:1,1,2-乙烷三羧酸三乙酯

CAS:7459-46-3

分子式:C11H18O6

分子量: 246.26

InChI:InChI=1S/C11H18O6/c1-4-15-9(12)7-8(10(13)16-5-2)11(14)17-6-3/h8H,4-7H2,1-3H3

InChIKey: TVWZLLYAJDSSCJ-UHFFFAOYSA-N

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

Mass

MS-NW-7600          
triethyl 1,1,2-ethanetricarboxylate
C11H18O6            (Mass of molecular ion:    246)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       2.6
      18.0       2.6
      19.0       1.2
      25.0       1.3
      26.0       8.7
      27.0      35.0
      28.0       9.3
      29.0      73.0
      30.0       1.8
      31.0       9.8
      41.0       1.1
      42.0       2.3
      43.0       6.2
      44.0       9.3
      45.0      10.4
      46.0       1.6
      47.0       1.6
      53.0       1.8
      54.0       2.7
      55.0      49.9
      56.0       4.5
      57.0       1.1
      69.0       1.1
      71.0       2.3
      72.0       4.8
      73.0      30.7
      74.0       1.9
      82.0       1.4
      83.0       1.7
      99.0      35.2
     100.0      40.9
     101.0      21.9
     102.0       3.2
     117.0       8.5
     126.0       3.1
     127.0      66.4
     128.0      55.3
     129.0      10.9
     130.0       1.3
     145.0      25.9
     146.0       2.1
     154.0       8.0
     155.0      19.8
     156.0       1.7
     172.0       1.9
     173.0     100.0
     174.0      19.9
     175.0       2.4
     200.0       9.3
     201.0      33.6
     202.0       4.2
     218.0       1.6
     219.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₈ O₆	0.05 ml : 0.5 ml CDCl₃
triethyl 1,1,2-ethanetricarboxylate

    Assign.     Shift(ppm)

      A             4.206
      B             4.164
      C             3.822
      D             2.917
      E             1.280
      F             1.259

     Hz     ppm     Int.

    388.50   4.338    110
    381.50   4.260    385
    375.69   4.195    267
    374.38   4.181    475
    368.56   4.116    242
    367.31   4.102    209
    363.44   4.059     32
    361.44   4.036     82
    350.13   3.910     63
    342.44   3.824    115
    335.31   3.744     86
    264.63   2.955    263
    257.19   2.872    212
    121.69   1.359    495
    119.75   1.338    295
    114.63   1.280   1000
    112.69   1.259    573
    107.44   1.200    465
    105.50   1.178    267
    101.38   1.132     33

in CDCl3