30673-38-2

癸酸異丁酯(30673-38-2)質(zhì)譜(MS)

產(chǎn)品名稱:癸酸異丁酯

CAS:30673-38-2

分子式:C14H28O2

分子量: 228.37

InChI:InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3

InChIKey: AXTPGRJJIGEOOY-UHFFFAOYSA-N

Smiles:C(OCC(C)C)(=O)CCCCCCCCC

Mass

MS-NW-8344          
isobutyl decanoate
C14H28O2            (Mass of molecular ion:    228)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0       5.4
      28.0       2.5
      29.0      16.1
      39.0       4.2
      40.0       1.0
      41.0      27.7
      42.0       5.9
      43.0      28.4
      44.0       1.0
      53.0       1.1
      54.0       1.2
      55.0      14.3
      56.0     100.0
      57.0      79.7
      58.0       3.5
      60.0      20.9
      61.0       6.1
      67.0       2.5
      68.0       1.6
      69.0       8.0
      70.0       2.6
      71.0      18.7
      72.0       1.1
      73.0      14.0
      74.0       1.8
      81.0       4.1
      82.0       1.0
      83.0       4.6
      84.0       3.7
      85.0       8.4
      86.0       1.4
      87.0       5.1
      89.0       1.3
      95.0       3.9
      97.0       2.6
      98.0       2.9
     101.0       2.2
     103.0       1.1
     110.0       1.3
     111.0       1.3
     112.0       1.6
     115.0       2.8
     116.0       3.9
     117.0       1.1
     129.0       9.6
     143.0       1.6
     155.0      41.8
     156.0       4.6
     172.0       7.5
     173.0      21.1
     174.0       2.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₄ H₂₈ O₂	0.04 ml : 0.5 ml CDCl₃
isobutyl decanoate

    Assign.     Shift(ppm)

      A             3.852
      B             2.30
      C             1.85
      D             1.63
      E             1.27
      F             0.933
      G             0.88

     Hz     ppm     Int.

    348.44   3.891    384
    341.88   3.818    419
    214.44   2.395     47
    213.31   2.382     46
    206.88   2.310    124
    199.13   2.224    104
    179.19   2.001     42
    172.38   1.925     52
    165.81   1.852     50
    159.13   1.777     41
    152.56   1.704     41
    151.31   1.690     31
    149.38   1.668     30
    148.56   1.659     32
    148.06   1.654     33
    146.13   1.632     41
    145.75   1.628     42
    145.44   1.624     41
    144.63   1.615     41
    143.81   1.606     39
    142.88   1.596     35
    142.00   1.586     32
    141.56   1.581     31
    141.06   1.576     31
    140.50   1.569     31
    140.13   1.565     31
    139.38   1.557     32
    139.06   1.553     32
    138.75   1.550     32
    138.31   1.545     31
    137.50   1.536     30
    128.75   1.438     31
    128.00   1.430     33
    127.25   1.421     37
    126.06   1.408     41
    125.44   1.401     42
    123.63   1.381     53
    122.25   1.366     63
    113.69   1.270    678
     86.56   0.967   1000
     84.56   0.945    103
     84.13   0.940    104
     80.00   0.894    791
     78.81   0.880    297
     72.44   0.809     50

in CDCl3