584-93-0

2-溴戊酸(584-93-0)Raman光谱

产品名称:2-溴戊酸

CAS:584-93-0

分子式:C5H9BrO2

分子量: 181.03

InChI:InChI=1S/C5H9BrO2/c1-2-3-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)

InChIKey: WMFATTFQNRPXBQ-UHFFFAOYSA-N

Smiles:C(O)(=O)C(Br)CCC

Mass

MS2015-05126CW      
2-bromovaleric acid
C5H9BrO2            (Mass of molecular ion:    180)

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

      26.0       3.3
      27.0      18.7
      28.0      13.3
      29.0      13.5
      31.0       1.2
      32.0       3.5
      38.0       1.8
      39.0      14.2
      40.0       2.3
      41.0      23.3
      42.0       1.6
      43.0       5.9
      44.0       4.6
      45.0       7.4
      50.0       2.2
      51.0       2.5
      52.0       1.0
      53.0       5.0
      54.0       4.2
      55.0      50.7
      56.0       8.6
      57.0       6.1
      58.0       1.8
      59.0       6.1
      60.0       2.0
      68.0       1.4
      71.0       2.0
      72.0       1.7
      73.0      12.9
      74.0       1.4
      79.0       1.2
      80.0       1.8
      81.0       1.3
      82.0       2.9
      83.0      12.8
      84.0       1.2
      85.0       1.4
      99.0       1.8
     100.0       4.7
     101.0      31.2
     102.0       1.9
     106.0       1.6
     107.0       2.3
     108.0       1.4
     109.0       2.2
     120.0       5.1
     122.0       4.6
     135.0       1.4
     137.0       1.0
     138.0      97.5
     139.0       2.6
     140.0     100.0
     141.0       2.1
     151.0       1.4
     153.0       1.3

90 MHz in CDCl3

in CDCl3

¹H NMR	89.56 MHz
C₅ H₉ Br O₂	0.04 ml : 0.5 ml CDCl₃
2-bromovaleric acid

    Assign.     Shift(ppm)

      A            11.65
      B             4.260
      C             2.02
      D             1.50
      E             0.97

     Hz     ppm     Int.

   1043.48  11.652    513
    388.87   4.343    282
    381.89   4.265    371
    374.43   4.181    313
    194.79   2.175     94
    192.41   2.149     95
    187.41   2.093    153
    186.15   2.079    206
    185.51   2.072    192
    180.75   2.019    121
    178.69   1.996    419
    172.18   1.923    157
    171.07   1.911    167
    145.92   1.630    106
    143.70   1.605     96
    138.30   1.545    189
    137.03   1.531    128
    135.28   1.511    104
    134.73   1.505    108
    132.35   1.478     86
    130.68   1.460    201
    128.62   1.437    116
    127.35   1.422    106
    124.02   1.385    139
    122.75   1.371     83
     94.42   1.055    311
     93.55   1.045    566
     86.65   0.968   1000
     79.27   0.886    274
     77.84   0.870    148