10519-17-2

2-十一炔酸乙酯(10519-17-2)质谱(MS)

产品名称:2-十一炔酸乙酯

CAS:10519-17-2

分子式:C13H22O2

分子量: 210.31

InChI:InChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-10H2,1-2H3

InChIKey: WVNHQHYIPXYFQX-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-7363          
ethyl 2-undecynoate
C13H22O2            (Mass of molecular ion:    210)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.1
      18.0       3.1
      26.0       5.4
      27.0      43.6
      28.0      17.3
      29.0      79.3
      30.0       2.6
      31.0       3.1
      32.0       1.3
      38.0       4.1
      39.0      34.4
      40.0       6.7
      41.0      83.3
      42.0      15.4
      43.0      74.3
      44.0       7.7
      45.0       8.2
      47.0       8.4
      50.0       2.5
      51.0       8.6
      52.0       7.9
      53.0      21.1
      54.0      13.5
      55.0      99.4
      56.0      17.9
      57.0      37.6
      58.0       2.1
      59.0       1.0
      60.0       1.1
      61.0       2.3
      63.0       1.8
      64.0       1.0
      65.0       9.9
      66.0      29.7
      67.0      80.7
      68.0      22.3
      69.0      27.0
      70.0       9.1
      71.0       5.5
      73.0       3.7
      77.0      16.0
      78.0       4.9
      79.0      74.9
      80.0      30.0
      81.0     100.0
      82.0      16.5
      83.0      11.8
      84.0      27.7
      85.0      10.1
      86.0      42.5
      87.0       2.7
      88.0       3.7
      89.0       1.3
      91.0      11.3
      92.0       2.7
      93.0      37.6
      94.0      22.8
      95.0      54.1
      96.0       8.6
      97.0      28.7
      98.0      11.9
      99.0      13.1
     100.0       3.5
     101.0       2.8
     102.0       1.1
     105.0       4.1
     106.0       1.1
     107.0      29.4
     108.0      15.2
     109.0      12.9
     110.0       3.6
     111.0      20.9
     112.0      15.1
     113.0       9.7
     114.0      44.3
     115.0       4.5
     117.0       1.4
     119.0       1.9
     120.0       1.5
     121.0      22.2
     122.0      21.7
     123.0       7.3
     124.0       1.5
     125.0      39.1
     126.0      17.2
     127.0      10.0
     128.0       3.3
     133.0       1.0
     135.0      19.1
     136.0       7.7
     137.0      11.3
     138.0       1.7
     139.0      24.5
     140.0       9.8
     141.0       2.4
     142.0       2.5
     149.0       1.8
     151.0       1.0
     153.0      19.2
     154.0      12.0
     155.0       1.6
     163.0       4.1
     164.0       2.1
     165.0      69.4
     166.0       8.8
     167.0       9.3
     168.0       5.9
     181.0       4.9
     182.0       1.9
     211.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₂₂ O₂	0.05 ml : 0.5 ml CDCl₃
ethyl 2-undecynoate

    Assign.     Shift(ppm)

      A             4.213
      B             2.325
      C             1.579
      D             1.40
      E             1.305
      F             1.28
      G             0.885

     Hz     ppm     Int.

   1694.58   4.241    162
   1687.50   4.223    476
   1680.30   4.205    471
   1673.22   4.187    168
    936.77   2.344    230
    929.57   2.326    461
    922.36   2.308    243
    646.24   1.618     39
    639.28   1.600    115
    636.60   1.593     41
    631.59   1.581    149
    624.27   1.563    135
    616.94   1.544     58
    572.39   1.433     30
    566.41   1.418     70
    566.04   1.417     70
    564.82   1.414     69
    560.30   1.402     82
    558.96   1.399     82
    557.50   1.395     84
    551.76   1.381     64
    545.17   1.365     31
    535.89   1.341     31
    528.69   1.323    564
    521.61   1.306   1000
    518.92   1.299    211
    514.40   1.288    784
    510.99   1.279    419
    359.99   0.901    163
    353.15   0.884    516
    346.07   0.866    197

in CDCl3