30673-36-0

癸酸正丁酯(30673-36-0)Raman光谱

产品名称:癸酸正丁酯

CAS:30673-36-0

分子式:C14H28O2

分子量: 228.37

InChI:InChI=1S/C14H28O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3-13H2,1-2H3

InChIKey: ZRNCNTSXSYXHOW-UHFFFAOYSA-N

Smiles:C(OCCCC)(=O)CCCCCCCCC

Mass

MS-NW-1883          
butyl decanoate
C14H28O2            (Mass of molecular ion:    228)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.4
      27.0      12.1
      28.0       3.6
      29.0      34.0
      31.0       2.0
      39.0       7.0
      40.0       1.6
      41.0      45.2
      42.0       8.5
      43.0      37.5
      44.0       1.2
      45.0       1.6
      53.0       1.9
      54.0       2.0
      55.0      21.5
      56.0     100.0
      57.0      43.5
      58.0       1.9
      59.0       1.1
      60.0      27.4
      61.0      11.9
      67.0       2.6
      68.0       2.3
      69.0      10.8
      70.0       2.7
      71.0      14.5
      72.0       1.0
      73.0      20.8
      74.0       2.5
      81.0       3.2
      82.0       1.1
      83.0       5.1
      84.0       4.0
      85.0       6.3
      87.0       5.0
      89.0       2.3
      95.0       2.8
      97.0       3.0
      98.0       3.1
     101.0       5.6
     103.0       1.9
     110.0       1.2
     111.0       1.4
     112.0       1.0
     115.0       2.7
     116.0       7.4
     117.0       2.2
     129.0      11.0
     130.0       1.1
     143.0       2.0
     155.0      24.2
     156.0       2.7
     172.0       4.6
     173.0      34.9
     174.0       4.0
     185.0       1.5
     228.0       1.5

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             4.068
      B             2.282
      C          1.63 to 1.51
      D             1.45
      E             1.35
      F             1.27
      G             0.93
      J             0.88

     Hz     ppm     Int.

    370.94   4.142    122
    364.50   4.070    331
    358.06   3.998    164
    213.00   2.379     66
    211.75   2.365     64
    205.31   2.293    173
    197.63   2.207    144
    157.56   1.760     39
    154.06   1.721     52
    151.50   1.692     88
    149.19   1.666     80
    148.50   1.659     70
    147.44   1.647     74
    144.88   1.618    142
    143.69   1.605    123
    142.69   1.594    120
    141.06   1.576     79
    139.13   1.554    141
    138.44   1.546    144
    137.00   1.530    134
    135.25   1.511     88
    133.25   1.488    139
    131.94   1.474    108
    129.06   1.442     92
    127.38   1.423    116
    125.63   1.403    128
    121.88   1.361    178
    118.81   1.327    235
    113.69   1.270   1000
    106.00   1.184     74
    103.88   1.160     43
     91.06   1.017    111
     90.25   1.008    182
     89.38   0.998    168
     85.75   0.958     91
     83.63   0.934    485
     82.06   0.917    186
     78.75   0.880    330
     76.19   0.851    125
     74.94   0.837     59
     74.13   0.828     73
     72.94   0.815     64

in CDCl3