590-86-3

異戊醛(590-86-3)核磁圖(¹³CNMR)

產(chǎn)品名稱:異戊醛

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

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

¹H NMR	399.65 MHz
C₅ H₁₀ O	0.05 ml : 0.5 ml CDCl₃
isovaleraldehyde

    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