1889-26-5

正戊酰溴(1889-26-5)红外图谱(IR1)

产品名称:正戊酰溴

CAS:1889-26-5

分子式:C5H9BrO

分子量: 165.03

InChI:InChI=1S/C5H9BrO/c1-2-3-4-5(6)7/h2-4H2,1H3

InChIKey: FDOHPUYPQQKECS-UHFFFAOYSA-N

Smiles:C(Br)(=O)CCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-3227          
valeryl bromide
C5H9BrO             (Mass of molecular ion:    164)

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

      14.0       1.1
      15.0       3.0
      18.0       1.9
      26.0      10.3
      27.0      62.1
      28.0      23.9
      29.0      73.0
      30.0       2.0
      31.0       1.0
      36.0       1.6
      37.0       2.2
      38.0       4.5
      39.0      27.7
      40.0       4.3
      41.0      66.5
      42.0      11.4
      43.0      10.1
      44.0       1.3
      45.0       4.2
      49.0       1.0
      50.0       3.5
      51.0       2.9
      52.0       1.1
      53.0       3.8
      54.0       1.4
      55.0     100.0
      56.0       9.2
      57.0      67.5
      58.0       3.2
      60.0      58.2
      61.0       2.9
      69.0       1.1
      73.0      21.9
      74.0       3.0
      79.0       2.2
      80.0       4.7
      81.0       2.3
      82.0       4.6
      83.0       1.2
      84.0      32.5
      85.0      75.4
      86.0       4.6
      87.0       1.8
     107.0       1.2
     109.0       1.1
     124.0       1.0
     128.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₉ Br O	0.04 ml : 0.5 ml CDCl₃
valeryl bromide

    Assign.     Shift(ppm)

      A             2.997
      B             1.66
      C             1.37
      D             0.941

     Hz     ppm     Int.

    276.50   3.088    293
    273.13   3.050     32
    269.38   3.008    688
    262.25   2.929    506
    259.88   2.902     30
    167.50   1.871     40
    166.19   1.856     55
    160.00   1.787    150
    158.31   1.768     81
    157.31   1.757    101
    155.13   1.733     77
    153.13   1.710    229
    151.81   1.696    209
    151.00   1.687    147
    150.25   1.678    146
    148.25   1.656     76
    146.00   1.631    228
    144.75   1.617    231
    142.38   1.590    109
    141.88   1.585    125
    140.38   1.568    128
    138.75   1.550    187
    137.88   1.540    115
    136.56   1.525    131
    135.44   1.513    159
    134.69   1.504    195
    132.56   1.481     88
    130.44   1.457    164
    129.31   1.444    186
    128.69   1.437    184
    127.25   1.421    237
    125.56   1.402    108
    123.19   1.376    194
    120.56   1.347    228
    119.06   1.330    109
    116.31   1.299    145
    114.06   1.274    202
    112.81   1.260    118
    109.44   1.222    106
    107.50   1.201     94
     96.31   1.076     34
     95.63   1.068     47
     95.13   1.063     37
     93.94   1.049     39
     91.25   1.019    315
     90.13   1.007    544
     89.56   1.000    516
     86.13   0.962     66
     83.69   0.935   1000
     77.31   0.864    171
     76.31   0.853    241
     74.44   0.832    130

in CDCl3