61203-83-6

對(duì)戊基環(huán)己酮(61203-83-6)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):對(duì)戊基環(huán)己酮

CAS:61203-83-6

分子式:C11H20O

分子量: 168.28

InChI:InChI=1S/C11H20O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h10H,2-9H2,1H3

InChIKey: UKLNPJDLSPMJMQ-UHFFFAOYSA-N

Smiles:C1(=O)CCC(CCCCC)CC1

Mass

MS-NW-7078          
4-pentylcyclohexanone
C11H20O             (Mass of molecular ion:    168)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       2.3
      26.0       1.4
      27.0      23.0
      28.0       9.5
      29.0      29.9
      32.0       1.0
      39.0      19.9
      40.0       4.2
      41.0      71.4
      42.0      15.7
      43.0      52.6
      44.0       2.0
      51.0       1.9
      52.0       1.2
      53.0       9.1
      54.0      12.0
      55.0      66.2
      56.0      23.1
      57.0      49.7
      58.0       3.5
      65.0       1.9
      66.0       1.3
      67.0      11.9
      68.0      15.5
      69.0      38.6
      70.0      49.4
      71.0      31.1
      72.0       3.0
      77.0       2.0
      78.0       1.4
      79.0       6.6
      80.0       2.0
      81.0      14.0
      82.0      11.4
      83.0      55.2
      84.0      11.3
      85.0       2.3
      91.0       1.8
      93.0       3.5
      94.0       2.7
      95.0      15.3
      96.0       8.8
      97.0     100.0
      98.0      11.4
      99.0       2.0
     107.0       2.5
     108.0       3.9
     109.0       4.6
     110.0       2.1
     111.0       7.7
     112.0       6.1
     121.0       3.1
     122.0       1.3
     124.0      12.8
     125.0       3.8
     126.0      49.4
     127.0       4.9
     139.0      13.6
     140.0       4.1
     168.0      25.5
     169.0       3.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₂₀ O	0.05 ml : 0.5 ml CDCl₃
4-pentylcyclohexanone

    Assign.     Shift(ppm)

      A          2.36 to 2.33
      B     *1      2.049
      C             1.703
      D     *1      1.39
      E             1.31
      F             0.896

     Hz     ppm     Int.

    961.30   2.406     41
    960.08   2.403     31
    957.28   2.396     74
    956.05   2.393     73
    952.15   2.383     92
    946.41   2.369    262
    944.09   2.363    456
    942.14   2.358    383
    940.43   2.354    274
    938.72   2.349    419
    932.13   2.333    207
    926.27   2.318    197
    917.97   2.297     73
    912.11   2.283     72
    834.59   2.089     44
    831.05   2.080     97
    828.25   2.073    145
    825.20   2.065    137
    822.51   2.059    116
    820.07   2.052     93
    817.50   2.046    120
    814.82   2.039    151
    811.77   2.032    151
    809.08   2.025     88
    806.88   2.019     46
    805.66   2.016     38
    573.36   1.435     79
    568.48   1.423     72
    568.12   1.422     73
    561.28   1.405    148
    555.91   1.391    152
    548.95   1.374    191
    543.46   1.360    208
    542.60   1.358    209
    538.21   1.347    241
    365.72   0.916    376
    358.76   0.898   1000
    351.81   0.881    546

in CDCl3