6280-96-2

2-羥基苯丙醚(6280-96-2)質(zhì)譜(MS)

產(chǎn)品名稱:2-羥基苯丙醚

CAS:6280-96-2

分子式:C9H12O2

分子量: 152.19

InChI:InChI=1S/C9H12O2/c1-2-7-11-9-6-4-3-5-8(9)10/h3-6,10H,2,7H2,1H3

InChIKey: JFSVGKRARHIICJ-UHFFFAOYSA-N

Smiles:C1(O)=CC=CC=C1OCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3578          
o-propoxyphenol
C9H12O2             (Mass of molecular ion:    152)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       5.2
      39.0       3.9
      41.0       5.4
      43.0       7.1
      51.0       1.5
      52.0       2.0
      53.0       2.7
      63.0       2.4
      64.0       5.5
      65.0       2.6
      81.0       4.9
      82.0       2.2
      92.0       3.7
     109.0       3.4
     110.0     100.0
     111.0       7.2
     152.0      24.3
     153.0       2.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₂ O₂	0.05 ml : 0.5 ml CDCl₃
o-propoxyphenol

    Assign.     Shift(ppm)

      A     *1      6.924
      B     *2      6.83
      C     *2      6.81
      D     *1      6.80
      E             5.81
      F             3.930
      G             1.782
      J             1.002

     Hz     ppm     Int.

   2772.95   6.939    125
   2771.61   6.936    212
   2770.63   6.933    132
   2765.99   6.922    165
   2764.65   6.918    226
   2764.16   6.917    199
   2763.18   6.915    194
   2738.28   6.852     78
   2734.25   6.842    114
   2733.15   6.839    113
   2731.32   6.835     44
   2729.13   6.829    213
   2727.54   6.825     60
   2725.46   6.820     81
   2723.75   6.816     76
   2721.80   6.811    260
   2719.85   6.806    579
   2718.75   6.803    507
   2715.94   6.796    189
   2714.60   6.793    216
   2712.65   6.788    117
   2321.04   5.808    703
   1577.39   3.947    399
   1570.92   3.931    711
   1564.21   3.914    399
    730.22   1.828     53
    723.51   1.811    131
    722.78   1.809    174
    716.19   1.793    337
    715.33   1.790    204
    709.47   1.776    229
    708.74   1.774    336
    702.03   1.757    183
    701.29   1.755    137
    694.70   1.739     60
    407.71   1.021    619
    400.39   1.002   1000
    392.82   0.983    541

in CDCl3