10031-92-2

2-壬炔酸乙酯(10031-92-2)質(zhì)譜(MS)

產(chǎn)品名稱:2-壬炔酸乙酯

CAS:10031-92-2

分子式:C11H18O2

分子量: 182.26

InChI:InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-8H2,1-2H3

InChIKey: BFZNMUGAZYAMTG-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C#CCCCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-7356          
ethyl 2-nonynoate
C11H18O2            (Mass of molecular ion:    182)

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

      15.0       2.4
      17.0       1.2
      18.0       5.3
      26.0       6.8
      27.0      47.4
      28.0      21.9
      29.0      79.0
      30.0       2.3
      31.0       5.4
      32.0       1.9
      37.0       1.4
      38.0       6.6
      39.0      37.5
      40.0       8.2
      41.0      80.3
      42.0      17.7
      43.0      84.7
      44.0      10.8
      45.0      11.0
      46.0       1.1
      47.0       8.7
      50.0       4.2
      51.0      11.6
      52.0      10.0
      53.0      23.4
      54.0       8.6
      55.0      60.7
      56.0       8.9
      57.0       5.6
      58.0       1.1
      59.0       1.0
      61.0       1.3
      62.0       1.0
      63.0       2.7
      64.0       1.0
      65.0      10.8
      66.0      33.2
      67.0     100.0
      68.0      24.7
      69.0      44.4
      70.0       8.8
      71.0       5.7
      73.0       3.0
      77.0      13.8
      78.0       4.6
      79.0      66.0
      80.0      12.6
      81.0      55.8
      82.0      11.5
      83.0       8.5
      84.0      38.2
      85.0      11.1
      86.0      30.2
      87.0       2.3
      88.0       1.5
      91.0       9.0
      92.0       2.2
      93.0      22.2
      94.0      19.7
      95.0      19.9
      96.0       3.5
      97.0      21.5
      98.0      10.4
      99.0       9.4
     100.0       2.0
     101.0       1.4
     105.0       2.2
     107.0      29.1
     108.0      16.2
     109.0      46.1
     110.0       4.9
     111.0      27.6
     112.0      13.1
     113.0       6.9
     114.0      22.7
     115.0       2.4
     117.0       1.3
     121.0       8.7
     123.0       1.4
     125.0      34.9
     126.0      10.7
     127.0       3.5
     135.0      11.3
     136.0       9.0
     137.0      96.5
     138.0      10.0
     139.0      11.3
     140.0       1.6
     153.0      16.7
     154.0       7.8
     155.0       1.8
     167.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₈ O₂	0.05 ml : 0.5 ml CDCl₃
ethyl 2-nonynoate

    Assign.     Shift(ppm)

      A             4.211
      B             2.331
      C             1.582
      D             1.41
      E             1.304
      F             1.30
      G             0.894

     Hz     ppm     Int.

   1693.97   4.239    187
   1686.77   4.221    501
   1679.69   4.203    506
   1672.49   4.185    188
    938.72   2.349    281
    931.64   2.332    533
    924.44   2.314    294
    646.85   1.619     49
    639.77   1.601    139
    637.33   1.595     45
    632.57   1.583    169
    631.96   1.582    175
    624.63   1.563    162
    617.31   1.545     71
    577.76   1.446     55
    570.68   1.428     97
    568.85   1.424     90
    563.84   1.411    107
    562.99   1.409    109
    561.65   1.406     94
    558.11   1.397     65
    555.42   1.390     96
    548.22   1.372     53
    540.41   1.353     39
    537.23   1.345     51
    531.13   1.329    117
    528.44   1.323    584
    524.54   1.313    212
    521.36   1.305   1000
    518.55   1.298    231
    516.85   1.294    192
    514.04   1.287    612
    511.23   1.280    149
    507.20   1.270     71
    505.25   1.265     45
    503.78   1.261     43
    502.08   1.257     32
    364.50   0.913    256
    357.54   0.895    596
    350.46   0.877    276

in CDCl3