90-05-1

愈創(chuàng)木酚(90-05-1)紅外圖譜(IR1)

產(chǎn)品名稱:愈創(chuàng)木酚

CAS:90-05-1

分子式:C7H8O2

分子量: 124.14

InChI:InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3

InChIKey: LHGVFZTZFXWLCP-UHFFFAOYSA-N

Smiles:C1(O)=CC=CC=C1OC

Mass

MS-NW-0861          
guaiacol
C7H8O2              (Mass of molecular ion:    124)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.7
      26.0       3.2
      27.0      10.2
      28.0       2.4
      29.0       1.8
      37.0       1.8
      38.0       3.6
      39.0       9.3
      41.0       1.6
      50.0       5.4
      51.0       8.4
      52.0       9.3
      53.0      13.5
      54.0       1.2
      55.0       3.1
      61.0       1.0
      62.0       2.3
      63.0       5.4
      64.0       2.3
      65.0       6.1
      77.0       3.2
      79.0       1.2
      80.0       2.1
      81.0      60.8
      82.0       3.3
      95.0       2.8
     109.0     100.0
     110.0       6.9
     123.0       1.3
     124.0      87.1
     125.0       6.9
     138.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₈ O₂	0.05 ml : 0.5 ml CDCl₃
guaiacol

    Assign.     Shift(ppm)

      A             6.92
      B             6.84
      C             6.81
      D             5.83
      E             3.794

     Hz     ppm     Int.

   2772.22   6.937     88
   2771.48   6.935     85
   2769.53   6.930    137
   2765.99   6.922     96
   2763.55   6.915    161
   2762.45   6.913    139
   2744.14   6.867     48
   2740.72   6.858     68
   2738.40   6.852    102
   2734.86   6.844    208
   2733.28   6.840     44
   2732.30   6.837     73
   2730.83   6.834     59
   2727.54   6.825    346
   2725.46   6.820    399
   2724.49   6.818    263
   2721.56   6.810    215
   2719.85   6.806    115
   2717.65   6.801     45
   2330.69   5.832    470
   1516.36   3.795   1000

in CDCl3