30673-60-0

癸酸正丙酯(30673-60-0)質(zhì)譜(MS)

產(chǎn)品名稱:癸酸正丙酯

CAS:30673-60-0

分子式:C13H26O2

分子量: 214.34

InChI:InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h3-12H2,1-2H3

InChIKey: OVFMRFMJVFDSAA-UHFFFAOYSA-N

Smiles:C(OCCC)(=O)CCCCCCCCC

Mass

MS2015-05289CW      
propyl decanoate
C13H26O2            (Mass of molecular ion:    214)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      27.0       7.5
      29.0       8.9
      31.0       1.0
      39.0       7.4
      40.0       2.2
      41.0      32.4
      42.0      15.7
      43.0      47.1
      44.0       1.6
      45.0       1.3
      53.0       1.6
      54.0       1.8
      55.0      18.3
      56.0       5.5
      57.0      20.8
      58.0       1.1
      59.0       4.3
      60.0      43.0
      61.0      82.0
      62.0       2.0
      67.0       3.8
      68.0       3.0
      69.0      16.2
      70.0       3.5
      71.0      20.4
      72.0       1.2
      73.0      35.3
      74.0       4.4
      75.0       1.4
      79.0       1.0
      81.0       6.3
      82.0       1.8
      83.0       8.1
      84.0       6.7
      85.0      11.2
      87.0      13.0
      89.0       5.2
      95.0       6.6
      96.0       1.0
      97.0       6.3
      98.0       5.7
     101.0       4.7
     102.0      37.1
     103.0       9.9
     110.0       2.7
     111.0       3.4
     112.0       1.7
     115.0      25.7
     116.0       2.3
     117.0       1.8
     125.0       1.2
     129.0      23.1
     130.0       2.0
     135.0       2.5
     137.0       1.6
     143.0       5.3
     153.0       3.5
     155.0      86.9
     156.0       9.5
     157.0       3.2
     171.0      12.0
     172.0      10.8
     173.0     100.0
     174.0      11.0
     175.0       1.0
     185.0       1.7
     214.0       4.4
     215.0       1.3

90 MHz in CDCl3

in CDCl3

¹H NMR	89.56 MHz
C₁₃ H₂₆ O₂	0.04 ml : 0.5 ml CDCl₃
propyl decanoate

    Assign.     Shift(ppm)

      A             4.025
      B             2.29
      C          1.44 to 1.87
      D             1.27
      E             0.94
      F             0.87

     Hz     ppm     Int.

    367.25   4.101    232
    360.63   4.027    498
    353.94   3.952    257
    205.81   2.299    179
    198.19   2.213    157
    157.94   1.764     97
    151.56   1.693    155
    151.00   1.687    157
    144.88   1.618    139
    144.00   1.608    216
    137.19   1.532    141
    113.38   1.266   1000
     91.19   1.019    294
     90.56   1.012    216
     84.25   0.941    677
     83.56   0.934    416
     78.63   0.878    327
     77.38   0.865    197
     76.50   0.855    254
     75.50   0.844    170
     72.75   0.813     82