29823-18-5

7-溴庚酸乙酯(29823-18-5)核磁圖(¹HNMR)

產(chǎn)品名稱:7-溴庚酸乙酯

CAS:29823-18-5

分子式:C9H17BrO2

分子量: 237.13

InChI:InChI=1S/C9H17BrO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3

InChIKey: OOBFNDGMAGSNKA-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCCCCCBr

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9327          
ethyl 7-bromoheptanoate
C9H17BrO2           (Mass of molecular ion:    236)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.2
      26.0       1.9
      27.0      14.9
      28.0       6.8
      29.0      25.3
      31.0       2.0
      39.0       7.9
      40.0       2.2
      41.0      24.0
      42.0       6.1
      43.0      14.1
      44.0       1.1
      45.0      11.0
      53.0       2.9
      54.0       2.5
      55.0      33.0
      56.0       5.3
      57.0       3.2
      60.0      23.3
      61.0      16.3
      67.0       5.5
      68.0       5.5
      69.0      10.2
      70.0      14.8
      71.0       1.0
      73.0       9.4
      74.0       1.8
      79.0       1.3
      80.0       2.5
      81.0       3.0
      82.0       3.3
      83.0      28.8
      84.0       3.2
      85.0       1.1
      87.0       2.5
      88.0     100.0
      89.0       5.7
     101.0       5.8
     107.0       1.3
     109.0       1.6
     110.0       2.5
     111.0      13.9
     112.0       1.1
     115.0       1.6
     121.0       1.2
     123.0       1.0
     129.0       4.0
     157.0       7.6
     191.0       9.0
     193.0       8.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₇ Br O₂	0.05 ml : 0.5 ml CDCl₃
ethyl 7-bromoheptanoate

    Assign.     Shift(ppm)

      A             4.126
      B             3.408
      C             2.302
      D             1.867
      E             1.642
      F             1.460
      G             1.360
      J             1.256

     Hz     ppm     Int.

   1659.67   4.153    177
   1652.59   4.136    484
   1645.39   4.118    489
   1638.31   4.100    177
   1368.77   3.425    306
   1362.06   3.409    575
   1355.22   3.392    314
    927.86   2.322    257
    920.41   2.304    420
    912.84   2.285    274
    759.28   1.900     65
    752.44   1.883    166
    749.63   1.876     39
    748.29   1.873     39
    745.36   1.866    183
    737.67   1.846    175
    730.83   1.829     76
    671.26   1.680     68
    663.82   1.662    165
    656.25   1.643    198
    648.56   1.623    149
    641.24   1.605     71
    599.73   1.501     39
    599.12   1.500     37
    592.53   1.483     92
    590.94   1.479     69
    589.48   1.475     56
    584.72   1.464    119
    583.74   1.461    134
    580.69   1.453     58
    578.61   1.448     87
    576.78   1.444    117
    574.34   1.438     53
    569.82   1.426     72
    557.62   1.396     45
    556.15   1.392     74
    551.51   1.380     73
    548.95   1.374    132
    546.02   1.367     55
    544.43   1.363     55
    541.75   1.356    157
    540.04   1.352     86
    536.50   1.343     52
    534.30   1.337     59
    532.96   1.334     74
    509.28   1.275    584
    502.08   1.257   1000
    495.00   1.239    563

in CDCl3