124-25-4

正十四醛(124-25-4)質(zhì)譜(MS)

產(chǎn)品名稱:正十四醛

CAS:124-25-4

分子式:C14H28O

分子量: 212.37

InChI:InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3

InChIKey: UHUFTBALEZWWIH-UHFFFAOYSA-N

Smiles:C(=O)CCCCCCCCCCCCC

Mass

MS-IW-3684          
tetradecanal
C14H28O             (Mass of molecular ion:    212)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0      13.7
      28.0       3.1
      29.0      32.6
      31.0       1.1
      39.0      10.5
      40.0       2.1
      41.0      67.4
      42.0      16.8
      43.0      80.7
      44.0      31.0
      45.0      13.1
      53.0       4.8
      54.0      15.6
      55.0      71.1
      56.0      37.2
      57.0     100.0
      58.0       6.7
      59.0       1.0
      66.0       8.8
      67.0      42.1
      68.0      55.2
      69.0      51.0
      70.0      32.8
      71.0      44.0
      72.0       8.9
      73.0       1.2
      79.0       2.6
      80.0       3.0
      81.0      37.6
      82.0      86.3
      83.0      47.3
      84.0      21.2
      85.0      22.7
      86.0       3.1
      93.0       1.1
      94.0       2.3
      95.0      34.5
      96.0      51.6
      97.0      30.2
      98.0      11.9
      99.0       6.6
     109.0      16.7
     110.0      17.6
     111.0      12.1
     112.0       6.8
     113.0       3.3
     123.0       8.7
     124.0      10.4
     125.0       5.9
     126.0       5.1
     127.0       1.9
     137.0       6.7
     138.0       8.9
     139.0       2.5
     140.0       3.9
     151.0       2.2
     152.0       2.8
     166.0       7.6
     167.0       1.1
     168.0      12.2
     169.0       2.0
     184.0       2.0
     194.0       5.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₂₈ O	0.047 g : 0.5 ml CDCl₃
tetradecanal

    Assign.     Shift(ppm)

      A             9.765
      B             2.418
      C             1.628
      D          1.33 to 1.27
      E             1.26
      F             0.879

     Hz     ppm     Int.

   3904.72   9.771     90
   3902.74   9.766    186
   3900.91   9.761     94
    975.34   2.441     72
    973.51   2.436     71
    968.02   2.423    131
    966.19   2.418    133
    960.54   2.404     83
    958.71   2.399     87
    658.11   1.647     46
    650.79   1.629     62
    643.46   1.611     46
    533.91   1.336     40
    519.56   1.301    169
    514.68   1.288    150
    512.24   1.282    166
    503.08   1.259   1000
    358.58   0.898    117
    351.87   0.881    376
    344.70   0.863    148

in CDCl3