123-72-8

正丁醛(123-72-8)質(zhì)譜(MS)

產(chǎn)品名稱:正丁醛

CAS:123-72-8

分子式:C4H8O

分子量: 72.11

InChI:InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3

InChIKey: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N

Smiles:C(=O)CCC

Mass

MS2017-05407CM      
butyraldehyde
C4H8O               (Mass of molecular ion:     72)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      14.0       1.8
      15.0       3.9
      18.0       2.1
      26.0       6.1
      27.0      53.7
      28.0      14.1
      29.0      41.2
      31.0       1.9
      37.0       2.9
      38.0       5.2
      39.0      27.6
      40.0       3.6
      41.0      70.0
      42.0       9.1
      43.0      74.4
      44.0     100.0
      45.0       3.0
      50.0       1.4
      53.0       1.6
      54.0       3.5
      55.0       2.2
      57.0      31.5
      58.0       1.1
      71.0       8.9
      72.0      92.8
      73.0       5.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₈ O	0.04 ml : 0.5 ml CDCl₃
butyraldehyde

    Assign.     Shift(ppm)

      A             9.764
      B             2.37
      C             1.64
      D             0.97

     Hz     ppm     Int.

    876.34   9.785    203
    874.51   9.765    396
    872.68   9.745    208
    224.85   2.511    107
    223.97   2.501    126
    223.02   2.491    113
    222.14   2.481    124
    217.02   2.424    305
    216.14   2.414    291
    215.70   2.409    214
    215.11   2.402    264
    210.42   2.350    228
    209.77   2.343    388
    209.18   2.336    304
    208.67   2.330    356
    207.93   2.322    233
    202.59   2.263    228
    201.78   2.254    275
    168.02   1.877     70
    161.50   1.804    137
    160.47   1.792    195
    154.54   1.726    166
    153.52   1.715    380
    152.56   1.704    249
    148.61   1.660     60
    147.51   1.648    134
    147.00   1.642    200
    146.56   1.637    263
    145.39   1.624    330
    140.92   1.574     64
    140.04   1.564    103
    138.65   1.549    237
    132.28   1.477     75
    131.76   1.472    107
     95.00   1.061    209
     94.26   1.053    480
     93.60   1.046    606
     93.02   1.039    318
     90.31   1.009     59
     88.92   0.993    100
     87.38   0.976    635
     86.72   0.969   1000
     86.13   0.962    639
     82.25   0.919     84
     80.57   0.900    153
     79.76   0.891    331
     79.10   0.884    335
     78.00   0.871    184

in CDCl3