3400-45-1

環(huán)戊酸(3400-45-1)核磁圖(¹HNMR)

產(chǎn)品名稱:環(huán)戊酸

CAS:3400-45-1

分子式:C6H10O2

分子量: 114.14

InChI:InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)

InChIKey: JBDSSBMEKXHSJF-UHFFFAOYSA-N

Smiles:C1(C(O)=O)CCCC1

Mass

MS-NW-3232          
cyclopentanecarboxylic acid
C6H10O2             (Mass of molecular ion:    114)

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

      26.0       1.5
      27.0       8.0
      28.0       1.5
      29.0       2.8
      38.0       1.6
      39.0      15.1
      40.0       4.3
      41.0      39.9
      42.0      10.3
      43.0       1.5
      45.0       3.8
      53.0       2.5
      55.0       7.4
      57.0       1.0
      60.0       2.1
      65.0       1.3
      67.0       8.5
      68.0       8.1
      69.0      35.8
      70.0       2.0
      71.0       1.0
      73.0     100.0
      74.0       3.6
      86.0      23.7
      87.0       1.3
      96.0       1.8
      97.0       3.9
      99.0       1.4
     113.0       3.2
     114.0       8.4
     115.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₀ O₂	0.04 ml : 0.5 ml CDCl₃
cyclopentanecarboxylic acid

    Assign.     Shift(ppm)

      A            11.89
      B             2.755
      C          2.00 to 1.50

     Hz     ppm     Int.

   1064.53  11.887    444
    257.80   2.879     74
    256.09   2.860    119
    254.13   2.838     75
    252.67   2.822     88
    251.48   2.808    108
    248.91   2.780    244
    246.01   2.747     87
    244.81   2.734     94
    244.47   2.730     84
    243.36   2.718    115
    241.22   2.694    224
    240.88   2.690    218
    234.99   2.624     66
    234.22   2.616     80
    233.19   2.604    104
    183.03   2.044     64
    181.15   2.023    119
    179.87   2.009    164
    178.93   1.998    183
    178.25   1.991    185
    178.08   1.989    185
    176.97   1.976    275
    175.94   1.965    226
    174.40   1.948    334
    173.63   1.939    427
    172.52   1.927    470
    171.67   1.917    597
    169.96   1.898    610
    168.42   1.881    515
    167.31   1.869    462
    165.77   1.851    892
    164.40   1.836    516
    163.72   1.829    575
    162.70   1.817    661
    161.50   1.804    657
    159.36   1.780   1000
    156.29   1.746    522
    154.58   1.726    835
    154.24   1.723    836
    152.61   1.704    876
    149.88   1.674    928
    147.83   1.651    685
    146.72   1.639    579
    145.78   1.628    550
    144.75   1.617    493
    143.13   1.599    477
    141.08   1.576    313
    140.22   1.566    284
    139.28   1.556    212
    138.43   1.546    193
    136.89   1.529    147
    136.38   1.523    146
    135.44   1.513    129
    134.33   1.500     97
    133.90   1.496    100

in CDCl3