2,4-二甲氧基苯乙酮(829-20-9)核磁圖(¹³CNMR)

產(chǎn)品名稱:2,4-二甲氧基苯乙酮

CAS:829-20-9

分子式:C10H12O3

分子量: 180.2

InChI:InChI=1S/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-6H,1-3H3

InChIKey: VQTDPCRSXHFMOL-UHFFFAOYSA-N

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

Mass

MS-NW-6471          
2',4'-dimethoxyacetophenone
C10H12O3            (Mass of molecular ion:    180)

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

      15.0       2.8
      18.0       1.6
      39.0       1.7
      43.0       7.3
      50.0       1.5
      51.0       3.7
      52.0       1.1
      53.0       1.1
      62.0       1.4
      63.0       3.7
      64.0       2.1
      65.0       2.0
      66.0       1.1
      69.0       1.0
      77.0       6.6
      78.0       1.6
      79.0       3.7
      91.0       1.1
      92.0       3.6
      94.0       1.6
     107.0       5.9
     109.0       1.8
     121.0       1.1
     122.0      10.3
     135.0       4.4
     137.0       1.7
     150.0       4.6
     151.0       1.1
     163.0       3.4
     165.0     100.0
     166.0      11.0
     167.0       1.2
     180.0      25.8
     181.0       3.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₂ O₃	0.048 g : 0.5 ml CDCl₃
2',4'-dimethoxyacetophenone

    Assign.     Shift(ppm)

      A             7.815
      B             6.51
      C             6.45
      D     *1      3.882
      E     *1      3.841
      F             2.564

     Hz     ppm     Int.

    704.81   7.870     74
    703.88   7.860     51
    696.69   7.780     62
    695.75   7.769     83
    588.44   6.571     51
    586.13   6.545     80
    578.00   6.454    206
    576.56   6.438     43
    347.75   3.883    624
    344.06   3.842    745
    229.63   2.564   1000

in CDCl3