2623-87-2

4-溴丁酸(2623-87-2)核磁圖(¹HNMR)

產(chǎn)品名稱:4-溴丁酸

CAS:2623-87-2

分子式:C4H7BrO2

分子量: 167

InChI:InChI=1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)

InChIKey: GRHQDJDRGZFIPO-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCBr

Mass

MS-NW-9336          
4-bromobutyric acid
C4H7BrO2            (Mass of molecular ion:    166)

   Source Temperature: 260 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      14.0       1.1
      15.0       5.2
      26.0       3.4
      27.0      14.9
      28.0      23.2
      29.0      10.9
      31.0       1.9
      38.0       1.5
      39.0       8.6
      40.0       2.9
      41.0      21.6
      42.0      25.5
      43.0      33.8
      44.0       1.4
      45.0      17.3
      55.0       3.2
      56.0       7.3
      57.0       2.1
      58.0      10.0
      59.0       1.0
      60.0     100.0
      61.0       2.3
      69.0       1.2
      79.0       1.5
      80.0       4.6
      81.0       1.6
      82.0       4.5
      85.0       3.3
      86.0       8.3
      87.0      17.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₇ Br O₂	0.05 ml : 0.5 ml CDCl₃
4-bromobutyric acid

    Assign.     Shift(ppm)

      A            11.44
      B             3.484
      C             2.57
      D             2.20

     Hz     ppm     Int.

   1025.02  11.446   1000
    318.68   3.559    402
    315.53   3.524     75
    312.30   3.488    863
    307.91   3.439    102
    306.01   3.417    519
    239.14   2.671    178
    237.52   2.653    184
    232.47   2.596    285
    230.64   2.576    528
    228.37   2.550    105
    224.78   2.510    436
    223.83   2.500    403
    221.48   2.473     85
    218.63   2.442     60
    217.97   2.434     58
    216.72   2.420     51
    215.77   2.410     47
    214.82   2.399     42
    213.87   2.389     38
    213.21   2.381     35
    212.40   2.372     36
    212.11   2.369     37
    208.59   2.330    126
    207.13   2.313    123
    202.00   2.256    329
    199.44   2.227    123
    195.48   2.183    400
    193.29   2.159    179
    190.80   2.131     71
    190.43   2.127     70
    188.82   2.109    214
    186.91   2.087    126
    182.08   2.034     52
    180.40   2.015     44

in CDCl3