2,3-二甲氧基芐醇(5653-67-8)Raman光譜

產(chǎn)品名稱(chēng):2,3-二甲氧基芐醇

CAS:5653-67-8

分子式:C9H12O3

分子量: 168.19

InChI:InChI=1S/C9H12O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5,10H,6H2,1-2H3

InChIKey: CRLBBOBKCLYCJK-UHFFFAOYSA-N

Smiles:C1(CO)=CC=CC(OC)=C1OC

Mass

MS-NW-6349          
2,3-dimethoxybenzyl alcohol
C9H12O3             (Mass of molecular ion:    168)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       3.7
      18.0       2.4
      26.0       1.2
      27.0       3.8
      28.0       3.7
      29.0       3.4
      31.0       2.8
      37.0       1.0
      38.0       2.8
      39.0      10.1
      40.0       1.3
      41.0       4.3
      43.0       1.8
      45.0       1.3
      50.0       4.6
      51.0      10.6
      52.0       4.5
      53.0       6.4
      54.0       2.4
      55.0       5.1
      59.0       1.1
      62.0       1.7
      63.0       4.1
      64.0       2.5
      65.0      31.7
      66.0       4.3
      67.0       4.9
      74.0       1.2
      75.0       1.3
      76.0       2.9
      76.5       1.0
      77.0      11.9
      78.0       4.4
      79.0       5.8
      80.0       1.7
      81.0       6.1
      82.0       7.4
      89.0       1.4
      90.0       2.7
      91.0       7.0
      92.0       4.4
      93.0      45.5
      94.0       6.9
      95.0       2.6
      96.0       1.8
      97.0       3.7
     104.0       1.7
     105.0       4.4
     106.0       5.4
     107.0      13.3
     108.0       4.6
     109.0      10.5
     110.0      14.8
     111.0       1.0
     118.0       4.0
     119.0       6.5
     120.0       2.3
     121.0       3.2
     122.0       4.1
     123.0       4.0
     124.0       4.4
     125.0      10.5
     135.0      15.9
     136.0       8.7
     137.0      15.6
     138.0       4.6
     139.0      13.1
     140.0       1.4
     150.0       2.4
     151.0       5.6
     152.0       4.5
     153.0      22.9
     154.0       1.8
     167.0       4.9
     168.0     100.0
     169.0      12.3
     170.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₂ O₃	0.047 g : 0.5 ml CDCl₃
2,3-dimethoxybenzyl alcohol

    Assign.     Shift(ppm)

      A             7.02
      B             6.92
      C             6.87
      D             4.68
      E             3.866
      F             3.85
      G             2.45

     Hz     ppm     Int.

    631.50   7.052     46
    624.44   6.973    166
    621.38   6.939    118
    618.56   6.907     93
    616.19   6.881     48
    611.50   6.828     22
    608.81   6.798     23
    419.06   4.680    162
    346.25   3.867   1000
    345.06   3.853    793
    219.00   2.446     52

in CDCl3