17356-19-3

乙烯基環(huán)戊醇(17356-19-3)質(zhì)譜(MS)

產(chǎn)品名稱:乙烯基環(huán)戊醇

CAS:17356-19-3

分子式:C7H10O

分子量: 110.15

InChI:InChI=1S/C7H10O/c1-2-7(8)5-3-4-6-7/h1,8H,3-6H2

InChIKey: LQMDOONLLAJAPZ-UHFFFAOYSA-N

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

Mass

MS-NW-9733          
1-ethynylcyclopentanol
C7H10O              (Mass of molecular ion:    110)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.9
      26.0       5.8
      27.0      15.1
      28.0       6.5
      29.0       5.8
      31.0       1.7
      37.0       1.2
      38.0       3.6
      39.0      37.5
      40.0      13.4
      41.0      21.9
      42.0       8.3
      43.0       9.1
      50.0       4.2
      51.0      10.4
      52.0       3.0
      53.0      37.1
      54.0      29.3
      55.0      56.0
      56.0       4.5
      57.0       1.5
      61.0       1.0
      62.0       2.4
      63.0       5.3
      64.0       6.4
      65.0       8.0
      66.0       5.5
      67.0      56.3
      68.0      84.1
      69.0       9.8
      70.0       2.3
      71.0       2.8
      77.0      11.1
      78.0       1.7
      79.0      11.6
      80.0       2.1
      81.0     100.0
      82.0      33.4
      83.0       5.7
      84.0       3.8
      91.0      19.6
      92.0       4.6
      93.0       4.2
      94.0       1.2
      95.0      56.0
      96.0       3.7
     107.0       1.3
     109.0      28.3
     110.0       3.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₀ O	0.05 ml : 0.5 ml CDCl₃
1-ethynylcyclopentanol

    Assign.     Shift(ppm)

      A             2.81
      B             2.503
      C             1.962
      D     *1      1.84
      E     *1      1.73

     Hz     ppm     Int.

   1124.27   2.814     86
   1000.37   2.504   1000
    796.75   1.994     36
    791.50   1.981    299
    789.67   1.976    227
    784.91   1.964    583
    782.59   1.959    257
    779.91   1.952    400
    777.59   1.946    427
    773.07   1.935     58
    771.85   1.932     49
    752.69   1.884     34
    750.98   1.880     34
    745.97   1.867     31
    743.90   1.862     76
    741.58   1.856     86
    739.75   1.851    111
    737.30   1.845    145
    736.57   1.844    166
    732.54   1.833    150
    731.81   1.832    149
    728.39   1.823    129
    727.91   1.822    130
    724.85   1.814    123
    723.39   1.811    116
    721.92   1.807     79
    720.34   1.803     79
    717.77   1.796     35
    716.43   1.793     44
    714.60   1.789     66
    712.77   1.784     61
    711.55   1.781     50
    709.59   1.776     45
    709.23   1.775     45
    707.76   1.771     81
    703.98   1.762     77
    701.54   1.756     88
    699.10   1.750    159
    697.39   1.746    135
    694.95   1.739    139
    691.65   1.731    187
    687.74   1.721    136
    686.40   1.718    126
    684.33   1.713     99
    683.11   1.710     77
    680.54   1.703     67
    675.17   1.690     32

in CDCl3