1984-06-1

辛酸钠(1984-06-1)红外图谱(IR1)

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

¹H NMR	89.56 MHz
C₈ H₁₅ Na O₂	0.044 g : 0.5 ml D₂O
sodium octanoate

    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