2315-68-6

苯甲酸丙酯(2315-68-6)質(zhì)譜(MS)

產(chǎn)品名稱:苯甲酸丙酯

CAS:2315-68-6

分子式:C10H12O2

分子量: 164.2

InChI:InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey: UDEWPOVQBGFNGE-UHFFFAOYSA-N

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

Mass

MS-NW-0777          
propyl benzoate
C10H12O2            (Mass of molecular ion:    164)

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

      27.0       4.9
      28.0       2.0
      29.0       1.0
      39.0       2.9
      41.0       4.3
      42.0       2.4
      43.0       2.5
      50.0       4.2
      51.0      14.1
      52.0       1.0
      59.0       1.8
      74.0       1.0
      75.0       1.0
      76.0       2.1
      77.0      38.3
      78.0       3.6
      79.0       2.9
     105.0     100.0
     106.0       8.4
     122.0      27.7
     123.0      44.0
     124.0       3.5
     135.0       1.5
     164.0       3.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₂ O₂	0.04 ml : 0.5 ml CDCl₃
propyl benzoate

    Assign.     Shift(ppm)

      A             8.044
      B          7.30 to 7.65
      C             4.277
      D             1.781
      E             1.032

     Hz     ppm     Int.

    725.75   8.104    322
    724.19   8.087    327
    722.56   8.068    150
    721.69   8.059    127
    720.25   8.043    109
    718.69   8.025    244
    718.19   8.020    244
    716.00   7.995    422
    714.75   7.981     86
    677.25   7.562    103
    676.13   7.550    141
    673.31   7.518    116
    673.00   7.515    113
    672.44   7.509    232
    670.56   7.488    665
    669.63   7.477    254
    668.50   7.465    252
    666.75   7.445    147
    664.75   7.423    153
    663.81   7.412    194
    663.19   7.405    266
    662.63   7.399    280
    657.50   7.342    113
    389.94   4.354    443
    383.31   4.280    950
    376.75   4.207    498
    170.75   1.907    128
    164.38   1.836    215
    163.94   1.831    197
    157.88   1.763    157
    156.69   1.750    268
    155.63   1.738    151
    150.13   1.677    182
    149.25   1.667     94
     99.13   1.107    467
     98.50   1.100    314
     92.19   1.030   1000
     91.44   1.021    541
     84.44   0.943    286
     83.50   0.933    164

in CDCl3