3-甲基-2-丁烯醛(107-86-8)紅外圖譜(IR1)

產(chǎn)品名稱(chēng):3-甲基-2-丁烯醛

CAS:107-86-8

分子式:C5H8O

分子量: 84.12

InChI:InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3

InChIKey: SEPQTYODOKLVSB-UHFFFAOYSA-N

Smiles:C(=O)/C=C(/C)\C

Mass

MS-IW-9111          
3-methyl-2-butenal
C5H8O               (Mass of molecular ion:     84)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.1
      26.0       2.7
      27.0      20.8
      28.0       7.7
      29.0      30.3
      37.0       2.5
      38.0       4.9
      39.0      34.7
      40.0       5.8
      41.0      39.4
      42.0       2.9
      43.0       4.1
      44.0       4.4
      49.0       1.2
      50.0       4.9
      51.0       5.2
      52.0       1.5
      53.0      11.6
      54.0       2.8
      55.0      69.0
      56.0       6.5
      57.0       2.5
      65.0       2.1
      66.0       1.0
      67.0       1.5
      69.0       5.9
      82.0       1.7
      83.0      48.5
      84.0     100.0
      85.0       7.8
     100.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₈ O	0.05 ml : 0.5 ml CDCl₃
3-methyl-2-butenal

    Assign.     Shift(ppm)

      A             9.963
      B             5.879
      C             2.187
      D             1.992

     Hz     ppm     Int.

   3985.75   9.974    488
   3977.66   9.953    463
   2356.26   5.896     91
   2354.74   5.893    184
   2353.67   5.890    233
   2352.29   5.886    182
   2350.92   5.883     77
   2347.87   5.875     79
   2346.80   5.873    186
   2345.28   5.869    223
   2344.21   5.866    170
   2342.83   5.863     79
    874.48   2.189    998
    873.11   2.185    839
    868.84   2.175     58
    797.12   1.995   1000
    795.59   1.991    868

in CDCl3