環(huán)丙甲酸(1759-53-1)紅外圖譜(IR1)

產(chǎn)品名稱:環(huán)丙甲酸

CAS:1759-53-1

分子式:C4H6O2

分子量: 86.09

InChI:InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)

InChIKey: YMGUBTXCNDTFJI-UHFFFAOYSA-N

Smiles:C1(C(O)=O)CC1

Mass

MS-NW-2864          
cyclopropanecarboxylic acid
C4H6O2              (Mass of molecular ion:     86)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.8
      15.0       4.2
      18.0       1.7
      25.0       1.4
      26.0       7.5
      27.0      21.1
      28.0       5.1
      29.0       6.8
      30.0       1.4
      31.0       3.2
      36.0       1.0
      37.0       7.5
      38.0      13.1
      39.0     100.0
      40.0      26.8
      41.0      97.1
      42.0      47.0
      43.0      15.2
      44.0       7.4
      45.0      31.6
      53.0       2.0
      55.0      12.5
      56.0       1.0
      57.0      10.5
      58.0      36.0
      59.0       1.1
      60.0       3.6
      68.0      34.6
      69.0      21.1
      71.0       9.0
      85.0      72.4
      86.0       8.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₆ O₂	0.05 ml : 0.5 ml CDCl₃
cyclopropanecarboxylic acid

    Assign.     Shift(ppm)

      A            12.1
      B             2.766
      C     *1      1.91
      D     *1      1.84
      E     *2      1.716
      F     *2      1.597

     Hz     ppm     Int.

   4834.13  12.096    181
   1114.39   2.789    569
   1113.65   2.787    565
   1105.96   2.768   1000
   1098.45   2.749    609
   1097.72   2.747    618
    771.50   1.931    624
    766.37   1.918    566
    765.09   1.915    592
    763.44   1.911    838
    759.77   1.902    653
    758.31   1.898    718
    751.17   1.880    697
    749.88   1.877    644
    743.29   1.860    835
    738.34   1.848    687
    735.96   1.842    968
    730.65   1.829    632
    728.64   1.824    609
    693.65   1.736    551
    690.17   1.727    651
    689.26   1.725    710
    685.41   1.716    830
    678.63   1.699    676
    644.01   1.612    781
    641.08   1.605    522
    639.80   1.601    742
    637.42   1.595    944
    635.40   1.590    534
    632.29   1.583    752

in CDCl3