1-CHLORO-2,5-DIETHOXYBENZENE(52196-74-4) ¹³C NMR

Product Name1-CHLORO-2,5-DIETHOXYBENZENE

CAS 52196-74-4

Molecular FormulaC10H13ClO2

Molecular Weight200.66

InChIInChI=1S/C10H13ClO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4H2,1-2H3

InChIKey ZIMKMIAIVORSSX-UHFFFAOYSA-N

SmilesC1(OCC)=CC=C(OCC)C=C1Cl

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¹HNMR

¹³CNMR

Mass

MS-KW-0410          
2-chloro-1,4-diethoxybenzene 
C10H13ClO2          (Mass of molecular ion:    200)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.5
      27.0       8.0
      28.0       1.7
      29.0      16.3
      39.0       1.1
      50.0       1.0
      51.0       6.1
      52.0       4.0
      53.0       4.5
      54.0       1.9
      55.0       1.3
      62.0       1.5
      63.0       6.0
      64.0       1.1
      65.0       1.4
      73.0       1.6
      75.0       1.1
      79.0       4.0
      80.0       7.1
      81.0       1.9
      82.0       1.2
      87.0       1.3
      91.0       1.5
      99.0       2.2
     107.0       4.6
     108.0       3.2
     109.0       1.3
     115.0       5.7
     117.0       1.8
     143.0      38.1
     144.0     100.0
     145.0      18.8
     146.0      32.6
     147.0       2.2
     171.0       5.2
     172.0      22.6
     173.0       3.8
     174.0       7.4
     200.0      40.1
     201.0       4.8
     202.0      13.2
     203.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀H₁₃ClO₂	0.05 ml : 0.5 ml CDCl₃
2-chloro-1,4-diethoxybenzene

    Assign.     Shift(ppm)

     A           6.923
     B           6.820
     C           6.611
     D           4.008
     E           3.927
     F           1.408
     G           1.362
           .

     Hz     ppm     Int.

   2768.93   6.927    359
   2766.00   6.919    373
   2731.57   6.833    261
   2722.66   6.811    369
   2687.63   6.723    258
   2684.70   6.716    238
   2678.72   6.701    178
   2675.66   6.693    167
   1612.43   4.034    176
   1605.47   4.016    500
   1598.52   3.999    496
   1591.44   3.981    179
   1580.21   3.953    178
   1573.25   3.936    509
   1566.29   3.918    511
   1559.33   3.901    180
    569.46   1.425    585
    562.50   1.408   1000
    555.42   1.390    569
    551.15   1.379    561
    544.19   1.362    969
    537.24   1.344    528
    480.11   1.201     10

in CDCl3