930-68-7

2-环己烯-1-酮(930-68-7)Raman光谱

产品名称:2-环己烯-1-酮

CAS:930-68-7

分子式:C6H8O

分子量: 96.13

InChI:InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2

InChIKey: FWFSEYBSWVRWGL-UHFFFAOYSA-N

Smiles:C1(=O)CCCC=C1

Mass

MS-NW-2647          
2-cyclohexen-1-one
C6H8O               (Mass of molecular ion:     96)

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

      18.0       1.2
      26.0       1.8
      27.0       7.6
      28.0       1.2
      37.0       1.1
      38.0       2.5
      39.0      19.0
      40.0      19.6
      41.0       6.9
      42.0       8.3
      50.0       1.1
      51.0       1.4
      53.0       4.0
      54.0       1.8
      55.0       5.9
      65.0       1.4
      67.0       3.1
      68.0     100.0
      69.0       4.6
      96.0      29.2
      97.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₈ O	0.05 ml : 0.5 ml CDCl₃
2-cyclohexen-1-one

    Assign.     Shift(ppm)

      A             7.034
      B             6.009
      C             2.427
      D             2.372
      E             2.030
     
     J(A,B)=10.3HZ
     J(A,D)=4.2HZ
     J(B,D)=2.0HZ
     J(D,E)=6.0HZ

     Hz     ppm     Int.

   2820.68   7.058    257
   2816.53   7.048    492
   2812.50   7.038    272
   2810.55   7.033    273
   2806.40   7.023    511
   2802.37   7.013    266
   2408.69   6.027    331
   2406.74   6.023    567
   2404.66   6.017    302
   2398.56   6.002    310
   2396.48   5.997    540
   2394.53   5.992    291
    984.01   2.463     30
    983.15   2.461     31
    982.91   2.460     31
    977.29   2.446    932
    974.49   2.439    172
    970.70   2.429    984
    969.24   2.426    537
    966.06   2.418    219
    963.62   2.412   1000
    957.64   2.397    291
    955.69   2.392    302
    953.49   2.386    341
    951.66   2.382    746
    949.58   2.377    561
    947.51   2.371    562
    945.56   2.366    789
    943.48   2.361    402
    941.53   2.356    384
    939.45   2.351    364
    823.12   2.060    303
    820.56   2.054     77
    817.26   2.045    642
    810.79   2.029    649
    809.94   2.027    701
    803.71   2.012    611
    800.54   2.004     72
    797.61   1.996    218

in CDCl3