605-94-7

2,3-二甲氧基-5-甲基-1,4-苯醌(605-94-7)核磁图(¹³CNMR)

产品名称:2,3-二甲氧基-5-甲基-1,4-苯醌

CAS:605-94-7

分子式:C9H10O4

分子量: 182.17

InChI:InChI=1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3

InChIKey: UIXPTCZPFCVOQF-UHFFFAOYSA-N

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

Mass

MS-IW-0221          
2,3-dimethoxy-5-methyl-p-benzoquinone
C9H10O4             (Mass of molecular ion:    182)

   Source Temperature: 260 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0      19.3
      18.0       1.3
      26.0       1.0
      27.0       6.1
      28.0       6.0
      29.0       3.9
      37.0       1.7
      38.0       4.1
      39.0      27.0
      40.0      25.1
      41.0       5.2
      43.0      10.6
      50.0       2.3
      51.0       3.2
      52.0       4.8
      53.0      10.1
      54.0       1.1
      55.0       2.9
      56.0       1.2
      65.0       2.6
      66.0       3.0
      67.0       7.7
      68.0      26.5
      69.0      29.7
      70.0       1.2
      71.0       2.1
      77.0       1.1
      79.0       2.2
      80.0       4.8
      81.0       8.2
      82.0       1.1
      83.0      46.7
      84.0       2.7
      86.0       2.4
      93.0       2.7
      94.0       2.1
      95.0       3.7
      96.0      11.4
      97.0       1.5
      99.0       1.4
     107.0       3.3
     108.0       7.9
     109.0       5.3
     110.0       1.2
     111.0      21.0
     112.0       1.4
     121.0       6.8
     122.0       3.9
     123.0       2.5
     124.0       2.4
     125.0       4.5
     126.0       2.3
     135.0       2.5
     136.0      28.5
     137.0     100.0
     138.0       8.5
     139.0      25.2
     140.0       2.1
     151.0       4.2
     152.0       6.3
     153.0      18.5
     154.0       7.3
     164.0       3.5
     165.0       1.0
     166.0       1.1
     167.0      46.0
     168.0       4.3
     169.0       5.0
     181.0       2.3
     182.0      88.6
     183.0      11.9
     184.0       6.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₀ O₄	0.033 g : 0.5 ml CDCl₃
2,3-dimethoxy-5-methyl-p-benzoquinone

    Assign.     Shift(ppm)

      A             6.442
      B     *1      4.025
      C     *1      4.000
      D             2.041

     Hz     ppm     Int.

   2577.27   6.449     46
   2575.56   6.445    149
   2573.97   6.441    143
   2572.27   6.437     48
   1611.45   4.033     39
   1609.01   4.027   1000
   1603.52   4.013     20
   1598.88   4.001    968
    819.58   2.051     22
    816.77   2.044    473
    815.06   2.040    491

in CDCl3