丁酸丙酯(105-66-8)質(zhì)譜(MS)

產(chǎn)品名稱:丁酸丙酯

CAS:105-66-8

分子式:C7H14O2

分子量: 130.18

InChI:InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3

InChIKey: HUAZGNHGCJGYNP-UHFFFAOYSA-N

Smiles:C(OCCC)(=O)CCC

Mass

MS-NW-0770          
propyl butyrate
C7H14O2             (Mass of molecular ion:    130)

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

      15.0       1.4
      26.0       1.4
      27.0      21.6
      28.0       3.5
      29.0       9.7
      31.0       3.4
      39.0      11.0
      40.0       2.0
      41.0      36.2
      42.0      19.9
      43.0     100.0
      44.0       3.3
      45.0       1.2
      55.0       8.9
      56.0      18.7
      57.0      15.5
      59.0       5.5
      60.0      13.4
      61.0       8.7
      69.0       4.3
      70.0      10.1
      71.0      93.5
      72.0       3.9
      73.0       8.8
      83.0       4.9
      84.0       3.3
      85.0       4.4
      88.0       4.3
      89.0      59.7
      90.0       2.7
      91.0       3.4
      92.0       2.4
      98.0       2.4
     100.0       3.3
     101.0       5.2
     102.0       4.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
propyl butyrate

    Assign.     Shift(ppm)

      A             4.031
      B             2.278
      C             1.65
      D             0.95

     Hz     ppm     Int.

    367.81   4.107    262
    361.19   4.033    549
    354.56   3.959    289
    212.63   2.375    107
    211.69   2.364    114
    204.63   2.285    244
    198.00   2.211    200
    197.25   2.203    202
    159.94   1.786     90
    159.38   1.780    110
    159.00   1.776    115
    158.25   1.767    115
    153.44   1.714    106
    152.38   1.702    238
    151.88   1.696    231
    151.38   1.691    221
    145.38   1.624    222
    144.13   1.610    322
    137.50   1.536    225
     92.13   1.029    477
     91.38   1.021    505
     85.25   0.952    740
     84.44   0.943   1000
     83.81   0.936    467
     78.44   0.876    131
     77.56   0.867    298
     76.63   0.856    290
     75.69   0.846    129

in CDCl3