2100-42-7

2-氯-1,4-二甲氧基苯(2100-42-7)質譜(MS)

產品名稱:2-氯-1,4-二甲氧基苯

CAS:2100-42-7

分子式:C8H9ClO2

分子量: 172.61

InChI:InChI=1S/C8H9ClO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3

InChIKey: QMXZSRVFIWACJH-UHFFFAOYSA-N

Smiles:C1(OC)=CC=C(OC)C=C1Cl

¹HNMR

¹³CNMR

IR1

Mass

MS-KW-0273          
2-chloro-1,4-dimethoxybenzene 
C8H9ClO2            (Mass of molecular ion:    172)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       3.1
      26.0       1.3
      28.0       1.3
      37.0       1.0
      38.0       1.3
      39.0       2.8
      41.0       1.0
      50.0       2.9
      51.0       7.2
      53.0       7.7
      54.0       2.2
      60.0       1.7
      61.0       2.0
      62.0       4.2
      63.0      11.6
      64.0       2.4
      65.0      10.7
      66.0       1.6
      73.0       1.6
      74.0       1.9
      75.0       3.3
      77.0       4.2
      79.0      13.3
      85.0       1.0
      86.0       2.4
      87.0       1.1
      88.0       1.5
      92.0       1.8
      98.0       2.4
      99.0       1.6
     107.0      13.8
     108.0       1.4
     111.0       1.2
     113.0       1.4
     114.0       3.1
     116.0       1.0
     126.0       2.9
     128.0       1.2
     129.0      17.9
     130.0       1.2
     131.0       5.8
     141.0       1.0
     157.0     100.0
     158.0       7.8
     159.0      32.2
     160.0       2.5
     172.0      60.3
     173.0       5.5
     174.0      20.1
     175.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈H₉ClO₂	0.05 ml : 0.5 ml CDCl₃
2-chloro-1,4-dimethoxybenzene

    Assign.     Shift(ppm)

     A           6.938
     B           6.830
     C           6.738
     D *1        3.817
     E *1        3.726

     Hz     ppm     Int.

   2773.93   6.939    246
   2770.88   6.931    257
   2733.89   6.839    166
   2724.98   6.817    257
   2698.00   6.749    190
   2694.95   6.742    176
   2688.97   6.727    124
   2685.92   6.719    115
   1525.40   3.816    961
   1494.63   3.739     27
   1489.26   3.726   1000

in CDCl3