94-02-0

苯甲酰乙酸乙酯(94-02-0)核磁圖(¹HNMR)

產(chǎn)品名稱(chēng):苯甲酰乙酸乙酯

CAS:94-02-0

分子式:C11H12O3

分子量: 192.21

InChI:InChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey: GKKZMYDNDDMXSE-UHFFFAOYSA-N

Smiles:C(C1C=CC=CC=1)(=O)CC(=O)OCC

Mass

MS-IW-5623          
ethyl benzoylacetate
C11H12O3            (Mass of molecular ion:    192)

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

      27.0       1.3
      29.0       2.1
      31.0       1.4
      43.0       1.1
      45.0       1.0
      50.0       1.6
      51.0       5.7
      65.0       1.0
      69.0       2.9
      76.0       1.1
      77.0      23.4
      78.0       2.5
      91.0       1.6
     105.0     100.0
     106.0       8.0
     120.0       1.9
     146.0       3.9
     147.0       3.9
     192.0       7.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₂ O₃	0.04 ml : 0.5 ml CDCl₃
ethyl benzoylacetate

    Assign.     Shift(ppm)

      A            12.61
      B             7.95
      C             7.50
      D             7.50
      E          8.06 to 7.32
      F             5.662
      G             4.256
      J             4.205
      K             3.981
      L             1.283
      M             1.251

     Hz     ppm     Int.

   1129.21  12.609     79
    715.72   7.992    142
    714.10   7.974    156
    712.65   7.958     76
    711.62   7.946     73
    710.17   7.930     76
    708.54   7.912    157
    708.12   7.907    159
    705.98   7.883    217
    704.70   7.869     59
    700.77   7.825     44
    698.55   7.800     41
    695.13   7.762     36
    694.27   7.753     35
    691.88   7.726     32
    690.94   7.715     49
    680.43   7.598     59
    679.32   7.586     79
    676.59   7.555     78
    675.65   7.545    140
    673.77   7.524    355
    671.46   7.498    185
    669.67   7.478    103
    667.70   7.456    127
    666.67   7.444    213
    666.16   7.439    196
    664.37   7.419    109
    661.98   7.392     65
    661.55   7.387     64
    660.44   7.375     80
    659.67   7.366     64
    657.36   7.340     50
    507.06   5.662    149
    386.66   4.318     97
    384.52   4.294     83
    379.48   4.238    318
    377.34   4.214    103
    372.30   4.157    338
    370.42   4.136     54
    365.30   4.079    117
    359.14   4.011     33
    356.15   3.977   1000
    125.01   1.396     81
    117.75   1.315    461
    115.27   1.288     47
    110.66   1.236    791
    108.44   1.211     66
    106.90   1.194     35
    103.48   1.156    318
    101.34   1.132     30

in CDCl3