54630-50-1

5-甲基-2-庚醇(54630-50-1)核磁圖(¹³CNMR)

產(chǎn)品名稱(chēng):5-甲基-2-庚醇

CAS:54630-50-1

分子式:C8H18O

分子量: 130.23

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9046          
5-methyl-2-heptanol
C8H18O              (Mass of molecular ion:    130)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       3.3
      27.0       9.5
      28.0       1.9
      29.0      16.9
      31.0       1.7
      39.0       7.8
      40.0       1.2
      41.0      32.5
      42.0       5.4
      43.0      18.4
      44.0       6.2
      45.0     100.0
      46.0       2.3
      53.0       2.5
      54.0       1.6
      55.0      52.0
      56.0      31.6
      57.0      31.3
      58.0       2.4
      59.0       2.0
      67.0       1.7
      69.0      12.7
      70.0      33.0
      71.0       6.9
      83.0      17.0
      84.0      12.5
      85.0       7.0
      86.0       1.8
      97.0      10.1
     112.0      10.0
     113.0       1.2
     115.0       3.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₈ O	0.05 ml : 0.5 ml CDCl₃
5-methyl-2-heptanol

    Assign.     Shift(ppm)

      A             3.755
      B             2.12
      C     *1      1.50
      D     *2      1.40
      E     *3      1.35
      F     *1      1.32
      G     *2      1.26
      J             1.183
      K     *3      1.15
      L             0.87
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   1509.89   3.779     49
   1508.18   3.774     47
   1503.66   3.763     84
   1503.05   3.761     84
   1502.08   3.759     84
   1497.56   3.748     88
   1495.85   3.743     85
   1491.46   3.732     56
   1489.75   3.728     46
    846.92   2.120    148
    578.98   1.449    128
    574.58   1.438    185
    574.22   1.437    184
    573.00   1.434    262
    570.31   1.428    157
    569.34   1.425    166
    568.48   1.423    141
    539.18   1.350    145
    537.96   1.347    123
    536.50   1.343    126
    535.28   1.340    132
    534.06   1.337    145
    532.84   1.334    125
    531.86   1.331    133
    529.30   1.325    128
    527.47   1.320    134
    526.73   1.318    138
    522.58   1.308    119
    521.85   1.306    122
    476.32   1.192   1000
    475.34   1.190    969
    472.90   1.184    140
    470.09   1.177    972
    469.12   1.174    925
    466.06   1.167    131
    458.74   1.148    120
    353.52   0.885    479
    349.98   0.876    713
    348.27   0.872    644
    346.68   0.868    933
    345.95   0.866    867
    343.38   0.860    695
    341.67   0.855    524
    339.23   0.849    448
    338.87   0.848    447

in CDCl3