13958-93-5

3,5-二氯吡啶-4-羧酸(13958-93-5)质谱(MS)

产品名称:3,5-二氯吡啶-4-羧酸

CAS:13958-93-5

分子式:C6H3Cl2NO2

分子量: 192

InChI:InChI=1S/C6H3Cl2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)

InChIKey: BUQPTOSHKHYHHB-UHFFFAOYSA-N

Smiles:C1=NC=C(Cl)C(C(O)=O)=C1Cl

Mass

MS-KW-0576          
3,5-dichloroisonicotinic acid 
C6H3Cl2NO2          (Mass of molecular ion:    191)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       1.5
      28.0       3.6
      36.0       4.9
      37.0       3.7
      38.0       3.5
      44.0       6.2
      45.0       7.0
      47.0       2.0
      48.0       1.6
      49.0      11.0
      50.0       8.8
      51.0       1.9
      55.5       4.8
      56.5       1.6
      60.0       2.9
      62.0       1.9
      65.0       1.0
      72.0       1.6
      73.0       6.8
      74.0       3.2
      75.0       7.0
      76.0       8.0
      77.0       1.4
      77.5       1.5
      83.0       1.5
      84.0      54.3
      85.0      10.9
      86.0      18.1
      87.0       5.0
      92.0       1.3
     100.0       1.3
     101.0       1.1
     110.0       8.0
     111.0      31.9
     112.0      17.7
     113.0      10.7
     114.0       5.0
     119.0       9.7
     120.0       2.4
     121.0       6.3
     122.0       1.4
     123.0       1.1
     128.0       1.5
     146.0      11.9
     147.0       7.3
     148.0       8.2
     149.0       4.6
     150.0       1.5
     156.0       2.8
     158.0       1.0
     163.0       1.1
     174.0      46.1
     175.0       3.2
     176.0      29.5
     177.0       2.1
     178.0       4.9
     191.0     100.0
     192.0       7.3
     193.0      63.8
     194.0       4.7
     195.0      10.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆H₃Cl₂NO₂	0.040 g : 0.5 ml DMSO-d₆
3,5-dichloroisonicotinic acid

    Assign.     Shift(ppm)

     A           8.762

     Hz     ppm     Int.

   3502.51   8.762   1000
   3496.71   8.747      6

in DMSO-d6

KBr disk

Nujol

更多供应商