5909-24-0

4-氯-2-甲硫基嘧啶-5-羧酸乙酯(5909-24-0)质谱(MS)

产品名称:4-氯-2-甲硫基嘧啶-5-羧酸乙酯

CAS:5909-24-0

分子式:C8H9ClN2O2S

分子量: 232.69

Mass

MS-IW-0717          
ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate
C8H9ClN2O2S         (Mass of molecular ion:    232)

   Source Temperature: 130 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      27.0       1.1
      29.0       2.8
      36.0       1.5
      45.0       1.4
      46.0       1.2
      47.0       1.6
      53.0       1.5
      73.0       1.6
      74.0       1.6
      86.0       1.6
      87.0       2.9
      88.0       1.1
      89.0       1.1
      95.0       1.9
      96.0       1.0
     102.0       1.0
     110.0       1.1
     112.0       3.5
     113.0       1.1
     114.0       1.9
     122.0       1.0
     123.0       3.3
     124.0       1.1
     130.0       2.8
     131.0       1.8
     132.0       1.7
     137.0       1.5
     140.0       1.8
     141.0       1.0
     144.0       1.0
     151.0       1.8
     157.0       1.2
     158.0       8.7
     159.0       3.8
     160.0       3.6
     161.0       1.3
     168.0       9.2
     169.0       3.2
     171.0       1.0
     186.0       7.0
     187.0      22.2
     188.0       4.2
     189.0       8.4
     203.0       5.7
     204.0      37.2
     205.0       5.2
     206.0      14.0
     207.0       1.2
     214.0       4.1
     231.0       1.7
     232.0     100.0
     233.0      12.2
     234.0      37.6
     235.0       4.3
     236.0       1.8

parameter in DMSO-d6

¹H NMR	300 MHz
C₈ H₉ Cl N₂ O₂ S	0.038 g : 0.5 ml DMSO-d₆
ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate

    Parameter     ppm  Hz

      D(A)         8.439
     
      D(B)         4.215
      D(D)         1.263
       J(B,D)          7.1
     
      D(C)         2.545

     Hz     ppm     Int.

   2531.68   8.439    333
   1275.20   4.251     83
   1268.14   4.227    250
   1261.02   4.203    252
   1253.96   4.180     86
    763.53   2.545   1000
    385.97   1.287    255
    378.91   1.263    502
    371.85   1.239    247

KBr disc