41964-04-9

1-Chloro-4-(2,2-diethoxyethoxy)benzene(41964-04-9) IR1

Product Name1-Chloro-4-(2,2-diethoxyethoxy)benzene

CAS 41964-04-9

Molecular FormulaC12H17ClO3

Molecular Weight244.71

InChIInChI=1S/C12H17ClO3/c1-3-14-12(15-4-2)9-16-11-7-5-10(13)6-8-11/h5-8,12H,3-4,9H2,1-2H3

InChIKey OYHYJHOCOUPQPL-UHFFFAOYSA-N

SmilesC1(Cl)=CC=C(OCC(OCC)OCC)C=C1

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¹HNMR

¹³CNMR

IR1

1-Chloro-4-(2,2-diethoxyethoxy)benzene(41964-04-9) IR1
Mass

MS-IW-3809          
(p-chlorophenoxy)acetaldehyde diethyl acetal
C12H17ClO3          (Mass of molecular ion:    244)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       3.4
      28.0       1.0
      29.0      10.7
      31.0       3.2
      39.0       1.1
      43.0       5.1
      44.0       5.3
      45.0       3.5
      47.0      58.0
      50.0       2.0
      51.0       1.6
      59.0       1.8
      61.0       6.7
      63.0       2.5
      64.0       1.2
      65.0       1.7
      72.0       1.4
      73.0       2.1
      74.0       1.0
      75.0      65.1
      76.0       3.7
      77.0       4.3
      89.0       2.1
      99.0       4.2
     101.0       1.4
     103.0     100.0
     104.0       5.9
     111.0      11.0
     112.0       2.1
     113.0       5.5
     125.0       2.3
     127.0       5.4
     128.0       5.2
     129.0       1.9
     130.0       1.7
     141.0       7.0
     143.0       2.3
     153.0      19.7
     154.0       1.8
     155.0       7.5
     170.0       3.7
     171.0       2.0
     172.0       1.4
     198.0       2.9
     199.0       2.3
     200.0       1.1
     244.0       1.6

400 MHz in CDCl3

1-Chloro-4-(2,2-diethoxyethoxy)benzene(41964-04-9) IR1

¹H NMR	399.65 MHz
C₁₂ H₁₇ Cl O₃	0.05 ml : 0.5 ml CDCl₃
(p-chlorophenoxy)acetaldehyde diethyl acetal

    Assign.     Shift(ppm)

      A             7.207
      B             6.840
      C             4.807
      D             3.962
      E     *1      3.749
      F     *1      3.619
      G             1.236
     
     J(E,F)=-9.4HZ

     Hz     ppm     Int.

   2888.55   7.228     40
   2885.01   7.219    326
   2882.81   7.214    111
   2878.30   7.203    118
   2875.98   7.197    362
   2872.56   7.188     46
   2741.58   6.860     42
   2738.16   6.852    340
   2735.84   6.846    115
   2731.32   6.835    104
   2729.00   6.829    297
   2725.59   6.820     40
   1926.51   4.821    103
   1921.26   4.808    214
   1916.14   4.795    109
   1586.18   3.969    389
   1580.93   3.956    377
   1514.40   3.790     50
   1507.32   3.772    154
   1505.00   3.766     78
   1500.24   3.754    161
   1497.92   3.749    210
   1493.16   3.737     64
   1490.84   3.731    207
   1483.76   3.713     71
   1461.18   3.657     66
   1454.10   3.639    198
   1451.78   3.633     62
   1447.02   3.621    204
   1444.70   3.615    154
   1440.06   3.604     77
   1437.62   3.598    149
   1430.66   3.580     51
    501.10   1.254    629
    494.02   1.237   1000
    489.87   1.226     62
    486.94   1.219    601
    485.11   1.214    114
    481.93   1.206     34
    478.03   1.197     31

in CDCl3

liquid film

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