36157-40-1

3-乙酰基-2,5-二氯噻吩(36157-40-1)红外图谱(IR1)

产品名称:3-乙酰基-2,5-二氯噻吩

CAS:36157-40-1

分子式:C6H4Cl2OS

分子量: 195.07

InChI:InChI=1S/C6H4Cl2OS/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3

InChIKey: GYFDNIRENHZKGR-UHFFFAOYSA-N

Smiles:C(=O)(C1C=C(Cl)SC=1Cl)C

Mass

MS-IW-2645          
3-acetyl-2,5-dichlorothiophene
C6H4Cl2OS           (Mass of molecular ion:    194)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       3.9
      36.0       1.6
      37.0       4.4
      38.0       1.3
      42.0       2.1
      43.0      49.3
      44.0       2.0
      45.0       4.3
      47.0       1.5
      49.0       1.7
      50.0       1.3
      51.0       1.3
      57.0       2.1
      58.0       1.2
      61.0       1.0
      68.0       1.2
      69.0       4.7
      71.0       1.9
      72.0       4.5
      73.0       4.0
      74.0       1.5
      75.0       1.2
      79.0       6.6
      80.0       1.8
      81.0      15.5
      82.0       2.2
      83.0       1.1
      84.0       2.6
      87.0       1.4
      89.5       2.4
      90.5       1.6
      91.0       1.2
      92.0       1.1
      93.0       1.2
     107.0      15.2
     109.0      10.0
     111.0       1.6
     115.0       2.2
     116.0       9.8
     117.0       3.2
     118.0       3.9
     119.0       1.0
     151.0      15.3
     152.0       3.3
     153.0      10.3
     154.0       2.3
     155.0       2.1
     179.0     100.0
     180.0       6.5
     181.0      69.1
     182.0       4.4
     183.0      13.6
     194.0      43.2
     195.0       3.2
     196.0      29.5
     197.0       2.2
     198.0       5.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ Cl₂ O S	0.035 g : 0.5 ml CDCl₃
3-acetyl-2,5-dichlorothiophene

    Assign.     Shift(ppm)

      A             7.197
      B             2.577

     Hz     ppm     Int.

   2876.34   7.198    446
   1032.84   2.585     29
   1029.91   2.578   1000

in CDCl3

KBr disc

nujol mull

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