5-氯-2-甲氧基苯甲酸甲酯(33924-48-0)質譜(MS)

產品名稱:5-氯-2-甲氧基苯甲酸甲酯

CAS:33924-48-0

分子式:C9H9ClO3

分子量: 200.62

InChI:InChI=1S/C9H9ClO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,1-2H3

InChIKey: HPTHYBXMNNGQEF-UHFFFAOYSA-N

Smiles:C(OC)(=O)C1=CC(Cl)=CC=C1OC

Mass

MS-IW-8998          
methyl 5-chloro-2-methoxybenzoate
C9H9ClO3            (Mass of molecular ion:    200)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       4.1
      28.0       1.5
      29.0       1.7
      37.0       1.4
      38.0       1.3
      39.0       1.2
      45.0       2.9
      50.0       4.1
      51.0       3.4
      53.0       2.2
      59.0       3.3
      61.0       2.7
      62.0       5.0
      63.0      17.7
      64.0       1.3
      65.0       1.6
      72.0       1.1
      73.0       2.1
      74.0       4.2
      75.0      11.9
      76.0       3.7
      77.0       9.7
      78.0       1.5
      79.0       1.2
      91.0       2.2
      93.0       1.0
      97.0       1.2
      98.0       6.2
      99.0       2.0
     100.0       2.4
     110.0       2.2
     111.0      21.2
     112.0       2.7
     113.0       9.7
     114.0       1.1
     115.0       1.0
     126.0      20.1
     127.0       3.1
     128.0       6.6
     129.0       2.3
     133.0       1.2
     135.0       1.3
     139.0      13.2
     140.0       3.8
     141.0       7.4
     142.0       1.6
     143.0       1.1
     154.0       7.8
     155.0       3.2
     156.0       2.8
     157.0       1.5
     167.0      42.8
     168.0       7.8
     169.0     100.0
     170.0      10.3
     171.0      37.3
     172.0       3.4
     173.0       3.2
     183.0       1.2
     185.0       2.3
     200.0      41.5
     201.0       4.5
     202.0      13.6
     203.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ Cl O₃	0.05 ml : 0.5 ml CDCl₃
methyl 5-chloro-2-methoxybenzoate

    Assign.     Shift(ppm)

      A             7.753
      B             7.394
      C             6.904
      D     *1      3.883
      E     *1      3.875

     Hz     ppm     Int.

   3100.71   7.759    222
   3097.90   7.752    236
   2961.18   7.410    143
   2958.37   7.403    130
   2952.27   7.388    155
   2949.46   7.381    143
   2763.67   6.916    178
   2754.76   6.893    167
   1551.88   3.884   1000
   1548.71   3.876    785

in CDCl3