89-95-2

鄰甲基芐醇(89-95-2)紅外圖譜(IR2)

產(chǎn)品名稱:鄰甲基芐醇

CAS:89-95-2

分子式:C8H10O

分子量: 122.16

InChI:InChI=1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3

InChIKey: XPNGNIFUDRPBFJ-UHFFFAOYSA-N

Smiles:C1(CO)=CC=CC=C1C

Mass

MS-NW-6674          
o-methylbenzyl alcohol
C8H10O              (Mass of molecular ion:    122)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       4.6
      28.0       2.4
      29.0       2.4
      31.0       2.2
      37.0       1.1
      38.0       2.5
      39.0      13.4
      40.0       1.4
      41.0       3.5
      43.0       1.4
      50.0       5.2
      51.0      13.3
      52.0       4.4
      53.0       3.1
      60.0       4.4
      60.5       1.0
      61.0       1.4
      62.0       3.0
      63.0       7.1
      64.0       1.9
      65.0      13.8
      66.0       1.4
      74.0       1.5
      75.0       1.2
      76.0       1.0
      77.0      32.7
      78.0      14.1
      79.0      35.1
      80.0       2.6
      89.0       3.6
      90.0       1.3
      91.0      33.1
      92.0       3.7
      93.0      19.7
      94.0       1.8
     102.0       1.5
     103.0      12.8
     104.0     100.0
     105.0      16.5
     106.0       2.1
     107.0      33.2
     108.0       2.8
     119.0       3.5
     120.0       1.4
     121.0       5.8
     122.0      31.6
     123.0       2.9

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₀ O	0.041 g : 0.5 ml CDCl₃
o-methylbenzyl alcohol

    Assign.     Shift(ppm)

      A          7.47 to 7.00
      B             4.633
      C             2.322
      D             1.90

     Hz     ppm     Int.

    658.63   7.355     33
    656.81   7.334     25
    655.00   7.314     59
    653.69   7.299     54
    651.13   7.271     82
    649.38   7.251     68
    648.69   7.244     78
    646.63   7.221     68
    643.63   7.187    382
    640.38   7.151    327
    637.69   7.121     45
    415.06   4.635    641
    208.13   2.324   1000
    170.19   1.901    700

¹H NMR	399.65 MHz
C₈ H₁₀ O	0.042 g : 0.5 ml CDCl₃
o-methylbenzyl alcohol

    Assign.     Shift(ppm)

      A     *1      7.304
      B     *2      7.18
      C     *2      7.17
      D     *1      7.14
      E             4.606
      F             2.306
      G             2.15
     
     J(E,G)=5.3HZ.
     B,C AND D WERE CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

   2923.71   7.316     79
   2922.12   7.312     60
   2921.63   7.311     58
   2921.14   7.310     53
   2920.29   7.308     52
   2919.56   7.306     48
   2918.09   7.302    104
   2914.79   7.294    104
   2878.91   7.204     31
   2874.02   7.192    131
   2872.07   7.187    141
   2868.53   7.178    389
   2865.23   7.170    261
   2863.04   7.164    175
   2859.01   7.154    165
   2855.71   7.146     97
   2853.64   7.141     40
   2853.15   7.140     38
   2852.66   7.138     40
   2849.98   7.132     51
   1843.75   4.614    227
   1838.50   4.601    228
    921.88   2.307   1000
    866.21   2.168     55
    860.84   2.154    133
    855.22   2.140     50

in CDCl3