10522-18-6

2-十一炔酸甲酯(10522-18-6)质谱(MS)

产品名称:2-十一炔酸甲酯

CAS:10522-18-6

分子式:C12H20O2

分子量: 196.29

InChI:InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-9H2,1-2H3

InChIKey: YPUZOJRRZPRXNV-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-7362          
methyl 2-undecynoate
C12H20O2            (Mass of molecular ion:    196)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0      11.6
      18.0       2.9
      26.0       2.4
      27.0      32.9
      28.0      12.5
      29.0      52.4
      30.0       2.3
      31.0       4.0
      32.0       2.8
      33.0       4.5
      37.0       1.0
      38.0       5.1
      39.0      35.6
      40.0       7.0
      41.0      85.7
      42.0      19.5
      43.0      67.7
      44.0       4.5
      45.0       4.1
      50.0       3.3
      51.0      10.2
      52.0       8.8
      53.0      24.3
      54.0      14.0
      55.0      96.6
      56.0      19.9
      57.0      45.1
      58.0       2.6
      59.0      29.1
      60.0       1.0
      61.0       1.9
      63.0       2.4
      64.0       1.0
      65.0      11.2
      66.0      27.3
      67.0      59.9
      68.0      22.4
      69.0      30.6
      70.0       8.7
      71.0       4.8
      73.0       1.3
      74.0       7.9
      75.0       2.8
      77.0      19.8
      78.0       6.7
      79.0     100.0
      80.0      42.1
      81.0      85.0
      82.0      14.9
      83.0       8.1
      84.0       3.3
      85.0       6.2
      87.0       6.3
      88.0       1.3
      91.0      14.7
      92.0       3.5
      93.0      52.9
      94.0      26.9
      95.0      42.1
      96.0       7.3
      97.0      15.3
      98.0      22.2
      99.0      16.7
     100.0      78.0
     101.0       5.6
     102.0       1.2
     103.0       1.1
     105.0       4.3
     106.0       1.4
     107.0      39.1
     108.0      19.9
     109.0      10.9
     110.0       2.4
     111.0      33.7
     112.0       7.8
     113.0      17.7
     114.0       5.3
     115.0       1.9
     117.0       1.8
     119.0       1.5
     120.0       1.6
     121.0      33.1
     122.0      20.1
     123.0       5.7
     124.0       1.7
     125.0      22.6
     126.0       8.0
     127.0       3.7
     128.0       3.3
     129.0       1.1
     135.0      15.3
     136.0       6.4
     137.0       8.9
     138.0       1.6
     139.0      25.3
     140.0      15.9
     141.0       3.0
     149.0       1.8
     153.0      18.9
     154.0       7.9
     155.0       1.2
     163.0       1.0
     164.0       1.5
     165.0      46.6
     166.0       5.8
     167.0       6.0
     168.0       1.4
     197.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₂₀ O₂	0.05 ml : 0.5 ml CDCl₃
methyl 2-undecynoate

    Assign.     Shift(ppm)

      A             3.755
      B             2.329
      C             1.577
      D             1.40
      E             1.28
      F             0.882

     Hz     ppm     Int.

   1500.73   3.756   1000
    938.11   2.348    161
    930.91   2.330    315
    923.83   2.312    167
    638.67   1.599     78
    630.98   1.579    102
    629.03   1.574     47
    623.66   1.561     92
    616.33   1.543     39
    566.28   1.417     47
    564.58   1.413     46
    560.18   1.402     54
    558.96   1.399     55
    558.72   1.399     55
    557.37   1.395     56
    551.76   1.381     42
    528.44   1.323     40
    521.73   1.306    109
    514.16   1.287    262
    512.33   1.282    267
    510.74   1.278    276
    359.74   0.901    114
    353.03   0.884    355
    345.95   0.866    132

in CDCl3