14392-72-4

4'-羥基苯庚酮(14392-72-4)核磁圖(¹HNMR)

產(chǎn)品名稱:4'-羥基苯庚酮

CAS:14392-72-4

分子式:C13H18O2

分子量: 206.28

InChI:InChI=1S/C13H18O2/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,14H,2-6H2,1H3

InChIKey: MAZPQHJYGKZQEA-UHFFFAOYSA-N

Smiles:C(C1=CC=C(O)C=C1)(=O)CCCCCC

Mass

MS-IW-7596          
4'-hydroxyheptanophenone
C13H18O2            (Mass of molecular ion:    206)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       3.7
      27.0       2.0
      29.0       1.9
      39.0       5.3
      41.0       3.6
      43.0       2.1
      53.0       1.0
      55.0       3.0
      63.0       1.3
      64.0       1.2
      65.0      10.3
      66.0       1.4
      77.0       1.6
      79.0       1.3
      92.0       1.5
      93.0      12.0
      94.0       5.2
     107.0       1.8
     120.0       1.1
     121.0     100.0
     122.0       8.1
     123.0       1.4
     131.0       1.2
     136.0      87.0
     137.0       7.8
     149.0       9.5
     150.0       1.0
     159.0       1.2
     188.0       1.1
     206.0       7.8
     207.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₈ O₂	0.042 g : 0.5 ml CDCl₃
4'-hydroxyheptanophenone

    Assign.     Shift(ppm)

      A             8.20
      B             7.922
      C             6.974
      D             2.943
      E             1.725
      F             1.36
      G             1.294
      J             0.869

     Hz     ppm     Int.

   3279.05   8.205    748
   3173.46   7.941     80
   3170.65   7.934    695
   3168.70   7.929    220
   3163.82   7.917    225
   3161.87   7.912    754
   3159.06   7.905     91
   2794.31   6.992     91
   2791.50   6.985    818
   2789.43   6.980    239
   2784.67   6.968    233
   2782.59   6.963    793
   2779.79   6.956     91
   1184.20   2.964    388
   1176.76   2.945    502
   1169.19   2.926    429
    704.96   1.764     71
    697.75   1.746    184
    690.06   1.727    290
    682.62   1.709    213
    675.05   1.690    106
    562.62   1.408     38
    561.16   1.405     33
    555.91   1.391    119
    554.20   1.387    114
    548.34   1.373    169
    546.75   1.369    158
    543.33   1.360    127
    541.50   1.355    130
    539.92   1.351    144
    534.30   1.337    100
    533.08   1.334     88
    530.88   1.329     78
    525.76   1.316    179
    521.97   1.307    453
    519.04   1.299    443
    515.01   1.289    499
    511.23   1.280    306
    507.69   1.271    149
    502.81   1.259     40
    354.13   0.887    331
    352.17   0.882    187
    350.83   0.878    223
    347.17   0.869   1000
    341.55   0.855    194
    340.09   0.851    288
    337.28   0.844     63

in CDCl3