6638-05-7

3,5-二甲氧基-4-羥基甲苯(6638-05-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:3,5-二甲氧基-4-羥基甲苯

CAS:6638-05-7

分子式:C9H12O3

分子量: 168.19

InChI:InChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3

InChIKey: ZFBNNSOJNZBLLS-UHFFFAOYSA-N

Smiles:C1(O)=C(OC)C=C(C)C=C1OC

Mass

MS-KW-0571          
2,6-dimethoxy-4-methylphenol 
C9H12O3             (Mass of molecular ion:    168)

   Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      27.0       1.8
      28.0       1.2
      39.0       5.9
      40.0       1.0
      41.0       2.2
      43.0       2.0
      50.0       1.1
      51.0       2.2
      52.0       1.3
      53.0       6.5
      54.0       1.4
      55.0       2.2
      63.0       1.1
      65.0       6.1
      66.0       2.4
      67.0       2.4
      69.0       1.2
      77.0       3.0
      79.0       6.0
      81.0       1.6
      82.0       3.1
      84.0       1.8
      85.0       3.5
      93.0       1.8
      94.0       1.3
      95.0       1.9
      97.0       1.6
     107.0       9.0
     108.0       1.0
     109.0       1.8
     110.0       4.0
     121.0       2.6
     122.0       2.4
     123.0       3.0
     124.0       1.4
     125.0      16.2
     126.0       1.2
     137.0       1.1
     138.0       1.2
     139.0       1.3
     153.0      43.2
     154.0       3.9
     167.0       5.8
     168.0     100.0
     169.0      10.5
     170.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉H₁₂O₃	0.039 g : 0.5 ml CDCl₃
2,6-dimethoxy-4-methylphenol

    Assign.     Shift(ppm)

     A           6.387
     B           5.39
     C           3.849
     D           2.287

     Hz     ppm     Int.

   2553.47   6.388    252
   2552.98   6.386    243
   2153.08   5.386     51
   1609.87   4.027     10
   1538.82   3.850   1000
   1533.57   3.837     18
   1465.58   3.666     10
    914.68   2.288    333
    914.07   2.287    445
    913.46   2.285    294

in CDCl3