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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>2386-25-6更多圖譜> 2,4-二甲基-3-乙?;量?2386-25-6)紅外圖譜(IR2)

2386-25-6

2,4-二甲基-3-乙?;量?2386-25-6)紅外圖譜(IR2)

分子式:C8H11NO

分子量: 137.18

InChI:InChI=1S/C8H11NO/c1-5-4-9-6(2)8(5)7(3)10/h4,9H,1-3H3

InChIKey: VGZCKCJMYREIKA-UHFFFAOYSA-N

Smiles:C(=O)(C1C(C)=CNC=1C)C

  • 圖譜
    Mass

    MS-NW-6221          
    3-acetyl-2,4-dimethylpyrrole
    C8H11NO             (Mass of molecular ion:    137)
    

       Source Temperature: 240 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       1.6
          18.0       1.0
          27.0       2.2
          28.0       3.9
          38.0       1.1
          39.0       6.9
          40.0       2.3
          41.0       5.8
          42.0       3.8
          43.0       6.9
          46.5       2.5
          50.0       1.1
          51.0       2.7
          52.0       2.9
          53.0      10.8
          54.0       1.3
          58.5       1.0
          60.5       7.5
          61.0       2.2
          63.0       1.9
          65.0       4.6
          66.0       3.8
          67.0       7.2
          68.5       1.4
          77.0       1.2
          81.0       2.5
          93.0       4.2
          94.0       9.3
         108.0       1.4
         118.0       1.2
         121.0       1.6
         122.0     100.0
         123.0       8.1
         136.0       2.2
         137.0      57.0
         138.0       5.7
    

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C8 H11 N O 0.041 g : 0.5 ml CDCl3
    3-acetyl-2,4-dimethylpyrrole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.17 B 6.362 C 2.499 D 2.431 E 2.274 J(B,E)=1.1HZ. J(NH,B)=2.3HZ.

         Hz     ppm     Int.
    

        571.56   6.382     43
        570.44   6.370     56
        569.31   6.357     57
        568.19   6.345     46
        224.00   2.502    484
        223.63   2.497    482
        220.50   2.463     24
        217.69   2.431   1000
        214.81   2.399     26
        204.19   2.280    443
        203.13   2.269    448
    

in CDCl3

  • 圖譜

KBr disc

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nujol mull

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