6090-09-1

4-乙酰基-1-甲基-環(huán)己烯(6090-09-1)核磁圖(¹³CNMR)

產(chǎn)品名稱(chēng):4-乙?；?1-甲基-環(huán)己烯

CAS:6090-09-1

分子式:C9H14O

分子量: 138.21

InChI:InChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3

InChIKey: HOBBEYSRFFJETF-UHFFFAOYSA-N

Smiles:C(=O)(C1CCC(C)=CC1)C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-1774          
4-acetyl-1-methylcyclohexene
C9H14O              (Mass of molecular ion:    138)

   Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       2.5
      27.0       9.6
      28.0       1.0
      29.0       4.9
      38.0       1.1
      39.0      15.2
      40.0       3.0
      41.0      17.2
      42.0       1.7
      43.0      79.3
      44.0       2.1
      45.0       5.4
      50.0       1.7
      51.0       5.2
      52.0       2.3
      53.0      12.9
      54.0       1.9
      55.0      25.8
      56.0       1.2
      63.0       1.7
      65.0       5.7
      66.0       1.7
      67.0      44.6
      68.0      12.0
      69.0       2.4
      71.0       3.2
      77.0      15.1
      78.0       3.1
      79.0      25.2
      80.0      14.4
      81.0      11.6
      82.0       2.1
      83.0       1.7
      91.0      10.2
      92.0       3.0
      93.0      21.1
      94.0      15.4
      95.0     100.0
      96.0       9.2
      97.0       1.5
     105.0      13.4
     106.0       1.3
     107.0       1.1
     109.0       7.1
     110.0       1.7
     120.0       2.4
     121.0       1.5
     123.0      42.8
     124.0       4.0
     137.0       1.6
     138.0      70.6
     139.0       7.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₄ O	0.05 ml : 0.5 ml CDCl₃
4-acetyl-1-methylcyclohexene

    Assign.     Shift(ppm)

      A             5.388
      B             2.532
      C             2.174
      D             2.15
      E             2.12
      F             1.95
      G             1.649
      J             1.60

     Hz     ppm     Int.

   2156.74   5.397     68
   2155.40   5.394     80
   2153.93   5.390     83
   2152.34   5.386     76
   2150.88   5.382     62
   1015.26   2.541     41
   1009.28   2.526     44
    869.14   2.175   1000
    865.72   2.167     88
    863.28   2.161     95
    862.30   2.158    119
    860.23   2.153    119
    858.15   2.148    101
    853.76   2.137     63
    851.44   2.131     61
    848.51   2.124     47
    797.85   1.997    110
    797.12   1.995    108
    795.90   1.992    116
    794.56   1.989    105
    793.21   1.985     92
    791.87   1.982     77
    782.96   1.960     65
    781.98   1.957     69
    780.15   1.953     54
    778.93   1.950     50
    777.22   1.945     51
    776.00   1.942     47
    659.67   1.651    352
    658.94   1.649    343
    653.20   1.635     48
    648.32   1.623     58
    642.70   1.609     52
    641.48   1.606     49
    637.94   1.597     47
    636.96   1.594     48
    631.96   1.582     50
    626.59   1.568     46

in CDCl3