141-06-0

戊酸丙酯(141-06-0)核磁圖(¹HNMR)

產(chǎn)品名稱:戊酸丙酯

CAS:141-06-0

分子式:C8H16O2

分子量: 144.21

InChI:InChI=1S/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3

InChIKey: ROJKPKOYARNFNB-UHFFFAOYSA-N

Smiles:C(OCCC)(=O)CCCC

Mass

MS-NW-5438          
propyl valerate
C8H16O2             (Mass of molecular ion:    144)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.8
      26.0       1.9
      27.0      24.1
      28.0       8.0
      29.0      29.1
      30.0       1.0
      31.0       4.1
      39.0      10.1
      40.0       1.8
      41.0      38.4
      42.0      19.4
      43.0      40.2
      44.0       1.5
      45.0       2.8
      55.0       6.9
      56.0       5.2
      57.0      56.7
      58.0       2.9
      59.0       7.3
      60.0      34.5
      61.0      28.7
      73.0      18.6
      74.0       1.9
      75.0       5.4
      83.0       1.5
      84.0       1.1
      85.0     100.0
      86.0       5.7
      87.0       3.4
     102.0      10.5
     103.0      60.5
     104.0       3.8
     115.0       3.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₆ O₂	0.04 ml : 0.5 ml CDCl₃
propyl valerate

    Assign.     Shift(ppm)

      A             4.027
      B             2.299
      C             1.66
      D             1.61
      E             1.35
      F             0.94
      G             0.91

     Hz     ppm     Int.

    367.50   4.104    390
    360.88   4.030    825
    354.25   3.956    438
    214.50   2.396    121
    213.50   2.384    128
    206.81   2.310    321
    199.50   2.228    249
    158.13   1.766    151
    152.81   1.707    165
    151.69   1.694    241
    151.19   1.689    237
    150.44   1.680    201
    145.13   1.621    254
    144.19   1.610    399
    139.13   1.554    135
    137.31   1.534    320
    134.81   1.506     97
    132.25   1.477    118
    131.06   1.464    198
    127.56   1.425     47
    126.31   1.411     84
    124.88   1.395    118
    123.31   1.377    125
    121.38   1.356     48
    118.94   1.329     95
    116.81   1.305    128
    115.13   1.286     50
    113.13   1.264     46
    110.31   1.232    114
    109.06   1.218     55
    103.75   1.159     61
     92.00   1.028    259
     91.31   1.020    497
     90.69   1.013    331
     89.69   1.002    228
     88.56   0.989    332
     88.00   0.983    299
     84.38   0.943   1000
     83.69   0.935    568
     82.19   0.918    692
     76.63   0.856    362
     75.63   0.845    237
     74.75   0.835    165
     72.81   0.813     75

in CDCl3