30668-97-4

三氯代乙酸(2-乙氧基乙基)酯(30668-97-4)红外图谱(IR1)

产品名称:三氯代乙酸(2-乙氧基乙基)酯

CAS:30668-97-4

分子式:C6H9Cl3O3

分子量: 235.49

InChI:InChI=1S/C6H9Cl3O3/c1-2-11-3-4-12-5(10)6(7,8)9/h2-4H2,1H3

InChIKey: LEGOWVFXOHMHKG-UHFFFAOYSA-N

Smiles:C(OCCOCC)(=O)C(Cl)(Cl)Cl

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-5651          
2-ethoxyethyl trichloroacetate
C6H9Cl3O3           (Mass of molecular ion:    234)

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

      15.0       2.5
      19.0       2.2
      26.0       1.9
      27.0      13.0
      28.0       8.2
      29.0      32.6
      30.0       1.1
      31.0      56.3
      36.0       5.1
      38.0       1.7
      41.0       6.0
      42.0       1.1
      43.0      13.1
      44.0      18.5
      45.0      82.4
      46.0       2.1
      47.0       2.3
      49.0       1.2
      59.0     100.0
      60.0       4.4
      63.0       4.0
      65.0       1.2
      72.0      30.0
      73.0       8.3
      82.0       5.1
      83.0       2.1
      84.0       3.3
      85.0       1.3
     110.0       8.3
     112.0       5.4
     117.0      16.2
     119.0      15.5
     121.0       5.0
     127.0       1.1
     135.0       9.3
     137.0       3.0
     154.0       4.7
     156.0       3.1
     189.0      10.4
     191.0      10.1
     193.0       3.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₉ Cl₃ O₃	0.05 ml : 0.5 ml CDCl₃
2-ethoxyethyl trichloroacetate

    Assign.     Shift(ppm)

      A             4.513
      B             3.767
      C             3.586
      D             1.218

     Hz     ppm     Int.

   1808.47   4.526    358
   1805.30   4.518    243
   1803.83   4.514    353
   1802.12   4.510    240
   1799.07   4.502    367
   1510.13   3.779    386
   1507.08   3.771    245
   1505.37   3.767    356
   1503.78   3.763    240
   1500.73   3.756    350
   1443.97   3.614    201
   1437.01   3.596    556
   1429.93   3.578    570
   1422.97   3.561    213
    493.53   1.235    703
    486.57   1.218   1000
    479.49   1.200    544

in CDCl3