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1984-06-1

辛酸钠(1984-06-1)核磁图(1HNMR)

产品名称:辛酸钠

CAS:1984-06-1

分子式:C8H15NaO2

分子量: 166.19

InChI:InChI=1S/C8H16O2.Na/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1

InChIKey: BYKRNSHANADUFY-UHFFFAOYSA-M

Smiles:C(CC([O-])=O)CCCCC.[Na+]

90 MHz in D2O

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    1H NMR 89.56 MHz
    C8 H15 Na O2 0.044 g : 0.5 ml D2O
    sodium octanoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.16 B 1.66 to 1.32 C 1.29 D 0.88

         Hz     ppm     Int.
    

        202.00   2.256     90
        201.06   2.245     95
        199.13   2.224     61
        198.63   2.218     62
        194.69   2.174    245
        187.00   2.088    214
        184.25   2.058     43
        183.69   2.052     39
        183.19   2.046     34
        182.50   2.038     31
        152.69   1.705     36
        152.31   1.701     36
        151.75   1.695     39
        151.44   1.691     38
        151.13   1.688     38
        150.69   1.683     40
        150.00   1.675     40
        149.50   1.670     42
        149.00   1.664     47
        148.06   1.654     58
        145.31   1.623     92
        144.81   1.617     89
        144.25   1.611     88
        143.63   1.604     88
        143.50   1.603     88
        143.19   1.599     88
        143.00   1.597     88
        142.25   1.589     88
        140.31   1.567    105
        139.63   1.560    110
        138.69   1.549    115
        138.38   1.546    117
        137.75   1.539    122
        136.75   1.527    129
        136.63   1.526    129
        135.38   1.512    117
        134.69   1.504    114
        134.13   1.498    115
        133.81   1.495    117
        133.06   1.486    119
        132.50   1.480    118
        132.13   1.476    120
        131.44   1.468    123
        130.44   1.457    128
        130.00   1.452    129
        128.56   1.436    121
        127.81   1.428    121
        115.38   1.289   1000
        101.94   1.139     67
        101.25   1.131     62
        100.69   1.125     59
         99.19   1.108     46
         98.88   1.105     46
         98.38   1.099     45
         97.06   1.084     39
         96.75   1.081     39
         95.81   1.070     37
         95.00   1.061     36
         94.69   1.058     36
         94.38   1.054     37
         93.75   1.047     37
         93.13   1.040     37
         92.69   1.035     39
         92.44   1.033     39
         92.06   1.028     38
         91.44   1.021     40
         90.63   1.012     43
         89.50   1.000     47
         83.81   0.936    183
         82.13   0.918    170
         81.50   0.911    167
         78.38   0.876    522
         73.94   0.826    107
         73.63   0.823    107
         72.44   0.809    126
         69.00   0.771     52
    

in D2O

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KBr disc

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nujol mull

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4880 A,200 M,powder

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