二次元NMR法によるシグナルの帰属

Ferulic acid

structure of ferulic 同様にフェルラ酸 3mg/0.09ml methanol-d4を用いて、シグナルの帰属を行ってみよ。ケミカルシフトの基準は溶媒の残留プロトン(δH 3.30 ppm)と溶媒のカーボンシグナル(δC 49.0 ppm)である。

1H-NMRスペクトル

1H-NMR spectrum of ferulic acid

拡大

expansion of 1H-NMR spectrum of ferulic acid

table

Peak List    Date:  7.08.2000    Time: 11:43
File Name:    F:\PROJ\PICCFERU\001001.1R
Peak Results saved in File:    -
Peak Picking Parameter:
Peak constant PC:    1.00
Noise:    56156
Sens. level:    224623
Peak Picking region:
Start(ppm)    Start(Hz)    End(ppm)    End(Hz)    MI(%)    MAXI(%)
8.92    4462.7    1.98    988.4    6.98    183.03
Peak Picking results:
Nr.  Point    Frequency    PPM       Intensity    %Int.
 1    13110    3803.40    7.6048      96116176    19.6
 2    13174    3787.65    7.5733     100672160    20.5
 3    14016    3580.43    7.1590     105792432    21.6
 4    14023    3578.70    7.1555      79834232    16.3
 5    14216    3531.20    7.0606      42812760     8.7
 6    14222    3529.73    7.0576      58533444    11.9
 7    14249    3523.08    7.0443      50210924    10.2
 8    14256    3521.36    7.0409      66198092    13.5
 9    14720    3407.17    6.8126     123912600    25.3
10    14753    3399.04    6.7963     108091240    22.0
11    15726    3159.58    6.3175     109644656    22.4
12    15791    3143.58    6.2855     106926944    21.8
13    18681    2432.33    4.8634      37431492     7.6
14    20678    1940.85    3.8807     490475232   100.0
15    20683    1939.61    3.8782     373344480    76.1
16    21847    1653.14    3.3054      41283816    8.4

13C-NMRスペクトル

13C COM and DEPT spectrum of ferulic

table

Peak List    Date:  7.08.2000    Time: 11:46
File Name:    f:\xwin_nmr\piccferu\2\pdata\1\1R
Peak Results saved in File:    -
Peak Picking Parameter:
Peak constant PC:    1.00
Noise:    2960653
Sens. level:    11842610
Peak Picking region:
Start(ppm)    Start(Hz)    End(ppm)    End(Hz)    MI(%)    MAXI(%)
184.25    23171.1    52.64    6620.4    1.90    27.09
Peak Picking results:
Nr.   Point    Frequency    PPM        Intensity    %Int.
 1     8903    21324.78    169.5703     23263192    20.6
 2    11437    18747.07    149.0728     31499426    27.9
 3    11576    18605.67    147.9484     35529452    31.5
 4    11876    18300.49    145.5217     64810000    57.5
 5    14241    15894.69    126.3913     66276708    58.8
 6    14713    15414.55    122.5733    103743224    92.0
 7    15641    14470.54    115.0667     99546024    88.3
 8    15711    14399.33    114.5005     67285600    59.7
 9    16230    13871.38    110.3023     104046992   92.2
10    23062     6921.51     55.0384     112796896  100.0

1H-1H COSY

COSY spectrum of ferulic

HSQC

HSQC spectrum of ferulic

HMBC

HMBC spectrum of ferulic Part of HMBC spectrum of ferulic
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