110-62-3

正戊醛(110-62-3)Raman光譜

產(chǎn)品名稱(chēng):正戊醛

CAS:110-62-3

分子式:C5H10O

分子量: 86.13

InChI:InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3

InChIKey: HGBOYTHUEUWSSQ-UHFFFAOYSA-N

Smiles:C(=O)CCCC

Mass

MS-NW-3536          
valeraldehyde
C5H10O              (Mass of molecular ion:     86)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.9
      26.0       3.4
      27.0      28.2
      28.0      10.5
      29.0      52.3
      30.0       2.2
      31.0       1.9
      38.0       1.3
      39.0      12.3
      40.0       2.2
      41.0      41.0
      42.0      11.1
      43.0      18.7
      44.0     100.0
      45.0      12.2
      53.0       1.6
      55.0       4.4
      56.0       2.2
      57.0      19.8
      58.0      31.4
      59.0       1.3
      60.0       2.9
      67.0       1.1
      68.0       1.0
      71.0       1.8
      73.0       1.1
      85.0       1.2
      86.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₀ O	0.04 ml : 0.5 ml CDCl₃
valeraldehyde

    Assign.     Shift(ppm)

      A             9.763
      B             2.419
      C             1.59
      D             1.35
      E             0.930
     
     J(A,B)=1.9HZ.

     Hz     ppm     Int.

    876.34   9.785    456
    874.51   9.765    921
    872.61   9.744    514
    226.17   2.526    125
    225.22   2.515    125
    224.27   2.505    167
    223.32   2.494    133
    222.44   2.484     66
    221.34   2.472     45
    220.83   2.466     53
    220.39   2.461     63
    219.43   2.451    144
    218.55   2.441    347
    217.82   2.433    266
    216.72   2.420    345
    214.31   2.393     43
    213.72   2.387     37
    212.77   2.376     61
    211.67   2.364    242
    211.23   2.359    229
    209.77   2.343    254
    209.33   2.338    242
    161.13   1.800     38
    160.77   1.796     41
    159.89   1.786     43
    159.45   1.781     53
    159.01   1.776     55
    156.52   1.748     31
    155.05   1.732     60
    154.10   1.721    106
    153.08   1.710    161
    151.83   1.696     49
    150.66   1.683    131
    150.15   1.677     81
    149.34   1.668     65
    147.88   1.652     76
    147.07   1.643    168
    146.48   1.636    189
    145.46   1.625    216
    144.95   1.619    174
    143.70   1.605    145
    142.82   1.595    118
    141.28   1.578     78
    140.26   1.567    156
    139.38   1.557    199
    138.79   1.550    278
    138.35   1.545    269
    137.62   1.537    189
    136.08   1.520    158
    135.72   1.516    158
    134.77   1.505     86
    133.37   1.490    216
    132.93   1.485    183
    132.28   1.477    317
    131.62   1.470    244
    131.10   1.464    192
    130.66   1.459    147
    129.79   1.450     89
    127.51   1.424    166
    126.86   1.417    179
    126.20   1.410    257
    125.54   1.402    200
    124.44   1.390    249
    123.12   1.375    104
    122.17   1.365    112
    121.80   1.360    112
    121.07   1.352    123
    120.26   1.343    198
    119.60   1.336    152
    117.63   1.314    235
    116.02   1.296    119
    114.70   1.281     84
    114.18   1.275    114
    111.40   1.244    202
    109.94   1.228     96
    105.62   1.180     41
    104.66   1.169    117
     91.99   1.028     35
     90.60   1.012    422
     89.50   1.000    525
     88.77   0.992    521
     88.04   0.984    300
     86.57   0.967    111
     86.13   0.962    103
     85.18   0.952     80
     84.74   0.947     89
     83.06   0.928   1000
     81.67   0.912    405
     80.57   0.900    253
     79.69   0.890    179
     78.81   0.880    130
     78.30   0.875     94
     77.71   0.868    118
     77.12   0.862    191
     75.73   0.846    280
     75.29   0.841    209
     74.27   0.830     92
     73.68   0.823    150
     73.32   0.819    118

in CDCl3