17696-11-6

8-溴辛酸(17696-11-6)核磁圖(¹HNMR)

產(chǎn)品名稱:8-溴辛酸

CAS:17696-11-6

分子式:C8H15BrO2

分子量: 223.11

InChI:InChI=1S/C8H15BrO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)

InChIKey: BKJFDZSBZWHRNH-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCCCCCBr

Mass

MS-IW-0558          
8-bromooctanoic acid
C8H15BrO2           (Mass of molecular ion:    222)

   Source Temperature: 140 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      27.0       8.3
      28.0       2.6
      29.0       7.2
      39.0       6.3
      40.0       1.2
      41.0      21.4
      42.0       4.9
      43.0      12.0
      45.0       5.9
      53.0       2.1
      54.0       1.8
      55.0      41.3
      56.0       3.5
      57.0       3.4
      59.0       3.3
      60.0     100.0
      61.0       7.2
      67.0       5.2
      68.0       1.8
      69.0       9.1
      70.0       1.1
      73.0      44.6
      74.0       4.7
      79.0       1.1
      81.0       4.1
      82.0       5.2
      83.0      44.3
      84.0       3.0
      85.0       1.1
      87.0       4.4
      95.0       1.3
      96.0       2.5
      97.0      17.9
      98.0       1.8
     101.0       2.4
     107.0       2.3
     109.0       2.1
     115.0       2.6
     121.0       1.0
     124.0       3.8
     125.0      86.7
     126.0       7.7
     135.0       1.3
     137.0       1.1
     143.0      37.8
     144.0       3.4
     162.0       3.7
     163.0      13.5
     164.0       4.2
     165.0      13.1
     179.0       1.9
     181.0       1.8
     193.0       2.1
     195.0       2.1
     205.0       1.1
     207.0       1.0
     223.0       1.5
     225.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₅ Br O₂	0.033 g : 0.5 ml CDCl₃
8-bromooctanoic acid

    Assign.     Shift(ppm)

      A            11.
      B             3.406
      C             2.358
      D             1.854
      E             1.640
      F             1.45
      G             1.35

     Hz     ppm     Int.

   1368.43   3.425    490
   1361.59   3.407   1000
   1354.76   3.390    515
    950.47   2.379    375
    942.99   2.360    699
    935.51   2.341    423
    756.01   1.892     90
    749.18   1.875    262
    742.12   1.857    311
    734.43   1.838    281
    727.59   1.821    121
    671.82   1.682     46
    664.34   1.663    143
    657.08   1.645    218
    649.81   1.626    177
    644.90   1.614     46
    642.12   1.607     68
    591.48   1.480     53
    583.57   1.461    131
    577.80   1.446    169
    577.16   1.445    168
    571.82   1.431    114
    569.90   1.426    145
    565.62   1.416     57
    562.84   1.409     87
    559.64   1.401     59
    555.58   1.391     71
    553.44   1.385     91
    551.09   1.379    119
    545.96   1.367    232
    543.83   1.361    523
    540.19   1.352    392
    536.77   1.344    375
    533.57   1.336    212
    530.15   1.327     87
    528.65   1.323     74
    525.88   1.316     54

in CDCl3