7314-44-5

2,4-二甲氧基苄醇(7314-44-5)核磁图(¹³CNMR)

产品名称:2,4-二甲氧基苄醇

CAS:7314-44-5

分子式:C9H12O3

分子量: 168.19

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

InChIKey: RNKOUSCCPHSCFE-UHFFFAOYSA-N

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

Mass

MS-NW-7380          
2,4-dimethoxybenzyl alcohol
C9H12O3             (Mass of molecular ion:    168)

   Source Temperature: 100 °C
   Sample Temperature:  80 °C
   Direct, 75 eV

      15.0       1.4
      27.0       1.7
      29.0       2.0
      31.0       1.6
      38.0       1.8
      39.0       8.2
      40.0       1.2
      41.0       2.7
      43.0       1.3
      50.0       3.6
      51.0       7.2
      52.0       3.2
      53.0       3.7
      55.0       2.5
      59.0       1.1
      62.0       2.3
      63.0       6.8
      64.0       4.6
      65.0      12.2
      66.0       3.3
      67.0       1.3
      68.0       1.0
      69.0       4.0
      74.0       1.6
      75.0       1.3
      76.0       1.9
      77.0      14.1
      78.0       5.8
      79.0       5.1
      80.0       1.0
      81.0       2.5
      82.0       1.6
      91.0       8.5
      92.0       6.4
      93.0       4.2
      94.0       4.2
      95.0       2.3
      96.0       1.9
     105.0       2.1
     106.0       2.7
     107.0       9.2
     108.0       6.0
     109.0       7.0
     110.0       3.3
     119.0       2.2
     120.0       1.4
     121.0      29.9
     122.0       4.8
     123.0       1.1
     124.0       7.2
     125.0       6.2
     135.0      18.4
     136.0       8.4
     137.0      32.7
     138.0       4.1
     139.0      23.7
     140.0       5.7
     149.0       4.3
     150.0       2.2
     151.0      58.9
     152.0      11.2
     153.0      12.2
     154.0       1.3
     165.0       4.3
     167.0      61.5
     168.0     100.0
     169.0      10.1
     170.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₂ O₃	0.047 g : 0.5 ml CDCl₃
2,4-dimethoxybenzyl alcohol

    Assign.     Shift(ppm)

      A             7.152
      B             6.46
      C             6.44
      D             4.592
      E     *1      3.813
      F     *1      3.788
      G             2.28

     Hz     ppm     Int.

    645.74   7.211     55
    645.31   7.206     57
    636.77   7.110     79
    581.91   6.498     23
    579.43   6.470    166
    576.78   6.441     84
    572.94   6.398     75
    570.54   6.371     33
    411.27   4.593    283
    341.54   3.814    817
    339.23   3.788   1000
    204.57   2.285     44

in CDCl3