51546-12-4

2-氯-5-(甲硫基)苯甲酸(51546-12-4)紅外圖譜(IR1)

產(chǎn)品名稱:2-氯-5-(甲硫基)苯甲酸

CAS:51546-12-4

分子式:C8H7ClO2S

分子量: 202.66

Mass

MS-NW-8261          
2-chloro-5-(methylthio)benzoic acid
C8H7ClO2S           (Mass of molecular ion:    202)

   Source Temperature: 160 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       4.4
      28.0       1.3
      39.0       1.2
      45.0      10.6
      46.0       1.7
      47.0       2.1
      50.0       2.3
      51.0       1.6
      53.0       1.1
      61.0       1.5
      62.0       2.4
      63.0       6.4
      69.0       4.5
      71.0       1.1
      72.0       1.7
      73.0       2.2
      74.0       4.1
      75.0       5.3
      77.0       3.4
      81.0       1.1
      82.0       1.4
      83.0       1.3
      83.5       1.4
      84.0       1.0
      92.0       2.1
      93.0       1.1
      95.0       2.0
      97.0       1.1
      99.0       3.4
     101.0       2.1
     105.0       1.1
     106.0       1.7
     107.0       4.6
     108.0       5.9
     109.0       1.2
     110.0       1.5
     111.0       1.5
     112.0       1.0
     121.0       5.9
     122.0       3.8
     123.0       2.6
     125.0       1.0
     131.0       1.1
     133.0       1.6
     138.0       1.2
     139.0       4.9
     141.0       2.0
     142.0       4.1
     143.0       2.0
     144.0       1.6
     151.0       5.3
     155.0       1.6
     156.0       3.2
     157.0       6.6
     158.0       1.8
     159.0       2.8
     167.0       1.9
     169.0       4.5
     171.0       3.0
     185.0      10.9
     186.0       1.1
     187.0      14.4
     188.0       1.4
     189.0       4.1
     202.0     100.0
     203.0       9.9
     204.0      37.4
     205.0       3.6
     206.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₇ Cl O₂ S	0.036 g : 0.5 ml CDCl₃
2-chloro-5-(methylthio)benzoic acid

    Assign.     Shift(ppm)

      A            10.
      B             7.853
      C             7.382
      D             7.330
      E             2.510

     Hz     ppm     Int.

   3139.80   7.857    161
   3137.51   7.851    165
   2955.93   7.397     92
   2947.54   7.376    182
   2933.65   7.341    105
   2931.37   7.335    104
   2925.26   7.320     56
   2922.82   7.314     56
   1003.27   2.511   1000

in CDCl3