93-89-0

苯甲酸乙酯(93-89-0)核磁圖(¹HNMR)

產(chǎn)品名稱:苯甲酸乙酯

CAS:93-89-0

分子式:C9H10O2

分子量: 150.17

InChI:InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey: MTZQAGJQAFMTAQ-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C1=CC=CC=C1

Mass

MS-NW-0439          
ethyl benzoate
C9H10O2             (Mass of molecular ion:    150)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       3.8
      28.0       1.0
      29.0       3.3
      39.0       1.2
      45.0       1.5
      50.0       5.4
      51.0      16.0
      52.0       1.0
      74.0       1.6
      75.0       1.2
      76.0       2.4
      77.0      40.6
      78.0       4.0
     105.0     100.0
     106.0       9.1
     122.0      30.7
     123.0       2.6
     135.0       1.0
     149.0       1.7
     150.0      21.8
     151.0       2.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₂	0.05 ml : 0.5 ml CDCl₃
ethyl benzoate

    Assign.     Shift(ppm)

      A             8.05
      B             7.52
      C             7.41
      D             4.355
      E             1.380

     Hz     ppm     Int.

    728.38   8.133     44
    725.56   8.102    226
    724.00   8.084    238
    722.38   8.066    121
    721.50   8.057    104
    720.06   8.040    111
    718.50   8.023    220
    718.06   8.018    214
    715.81   7.993    257
    683.06   7.627     32
    681.31   7.608     34
    676.38   7.553     91
    675.19   7.539    113
    671.50   7.498    212
    669.69   7.478    501
    667.63   7.455    194
    665.88   7.436    101
    663.88   7.413    138
    662.88   7.402    173
    662.25   7.395    202
    660.31   7.373     39
    659.38   7.363     36
    658.06   7.348     42
    656.56   7.331     64
    655.13   7.315     31
    653.44   7.297     42
    402.00   4.489    134
    394.69   4.407    439
    391.19   4.368     30
    387.56   4.328    462
    380.56   4.250    156
    130.56   1.458    490
    128.50   1.435     39
    123.50   1.379   1000
    120.00   1.340     38
    116.31   1.299    431

in CDCl3