ChemicalBook
English   Japanese   Germany   Korea

590-86-3

异戊醛(590-86-3)红外图谱(IR1)

产品名称:异戊醛

CAS:590-86-3

分子式:C5H10O

分子量: 86.13

InChI:InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3

InChIKey: YGHRJJRRZDOVPD-UHFFFAOYSA-N

Smiles:C(=O)CC(C)C

  • 图谱
    Mass

    MS-IW-3643          
    isovaleraldehyde
    C5H10O              (Mass of molecular ion:     86)
    

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

          15.0       4.2
          26.0       2.8
          27.0      41.9
          28.0       4.0
          29.0      46.3
          30.0       1.0
          31.0       1.3
          37.0       2.3
          38.0       5.0
          39.0      38.7
          40.0       5.7
          41.0      89.8
          42.0      24.6
          43.0      93.4
          44.0     100.0
          45.0      19.6
          50.0       2.5
          51.0       2.4
          53.0       5.7
          55.0       6.2
          56.0       3.6
          57.0      37.0
          58.0      81.4
          59.0       3.1
          60.0       2.7
          67.0       1.9
          68.0       2.3
          69.0       2.6
          71.0      36.0
          72.0       1.7
          85.0       2.8
          86.0      11.7
          87.0       1.2
    

400 MHz in CDCl3

  • 图谱

    1H NMR 399.65 MHz
    C5 H10 O 0.05 ml : 0.5 ml CDCl3
    isovaleraldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.756 B *1 2.32 C *1 2.29 D 2.21 E 0.986 J(A,B)=J(A,C)=2.1HZ

         Hz     ppm     Int.
    

       3901.06   9.762    197
       3898.93   9.756    326
       3896.64   9.751    185
        926.21   2.318    181
        925.60   2.317    268
        924.07   2.313    170
        923.31   2.311    257
        920.87   2.305     32
        918.88   2.300    325
        916.60   2.294    321
        901.34   2.256     36
        894.78   2.239     74
        888.37   2.223    103
        887.30   2.221     59
        881.81   2.207    111
        880.89   2.205     87
        875.09   2.190     83
        874.33   2.188     88
        867.77   2.172     56
        397.49   0.995   1000
        390.78   0.978    947
    

in CDCl3

  • 图谱

liquid film

  • 图谱

  • 图谱

×