764-33-0

2-己炔酸(764-33-0)质谱(MS)

产品名称:2-己炔酸

CAS:764-33-0

分子式:C6H8O2

分子量: 112.13

InChI:InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-3H2,1H3,(H,7,8)

InChIKey: AKYAUBWOTZJUBI-UHFFFAOYSA-N

Smiles:C(O)(=O)C#CCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9150          
2-hexynoic acid
C6H8O2              (Mass of molecular ion:    112)

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

      16.0       3.2
      18.0       1.8
      22.0       1.2
      26.0       3.8
      27.0      34.1
      28.0       9.0
      29.0      24.8
      31.0       3.1
      32.0       1.3
      37.0       5.0
      38.0       9.7
      39.0      55.9
      40.0      65.7
      41.0      23.9
      42.0      20.1
      43.0       3.0
      44.0      95.1
      45.0       1.2
      49.0       1.5
      50.0       6.4
      51.0       7.7
      52.0       2.8
      53.0      41.9
      54.0       2.3
      55.0       1.3
      56.0       1.1
      57.0       1.1
      61.0       2.4
      62.0       3.1
      63.0       3.7
      65.0       7.0
      66.0       4.4
      67.0     100.0
      68.0      14.4
      69.0       1.3
      71.0       1.7
      95.0       2.8
     113.0       2.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₈ O₂	0.05 ml : 0.5 ml CDCl₃
2-hexynoic acid

    Assign.     Shift(ppm)

      A             9.70
      B             2.346
      C             1.628
      D             1.024

     Hz     ppm     Int.

   3878.78   9.706     67
    944.82   2.365    357
    937.81   2.347    689
    930.79   2.330    380
    668.95   1.674     50
    661.62   1.656    192
    654.45   1.638    366
    647.13   1.620    372
    642.85   1.609     24
    639.95   1.602    209
    632.78   1.584     50
    416.72   1.043    577
    414.28   1.037     51
    409.39   1.025   1000
    401.92   1.006    506

in CDCl3