2-硝基-3,4,5-三甲氧基苯甲酸甲酯(5081-42-5)核磁圖(¹HNMR)

產(chǎn)品名稱:2-硝基-3,4,5-三甲氧基苯甲酸甲酯

CAS:5081-42-5

分子式:C11H13NO7

分子量: 271.22

InChI:InChI=1S/C11H13NO7/c1-16-7-5-6(11(13)19-4)8(12(14)15)10(18-3)9(7)17-2/h5H,1-4H3

InChIKey: HCEIEWYPDCDNNU-UHFFFAOYSA-N

Smiles:C(OC)(=O)C1=CC(OC)=C(OC)C(OC)=C1[N+]([O-])=O

Mass

MS-NW-7991          
methyl 3,4,5-trimethoxy-2-nitrobenzoate
C11H13NO7           (Mass of molecular ion:    271)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0      22.3
      18.0       3.1
      27.0       1.7
      28.0       4.6
      29.0       1.6
      30.0       2.9
      37.0       2.8
      38.0       1.0
      39.0       4.3
      41.0       2.0
      43.0       3.2
      45.0       5.9
      49.0       1.8
      50.0       2.9
      51.0       3.4
      52.0       5.1
      53.0       7.3
      55.0       1.3
      59.0      18.8
      61.0       1.4
      62.0       1.6
      63.0       1.9
      64.0       1.2
      65.0       6.4
      66.0       6.1
      67.0       2.2
      68.0       1.8
      69.0       3.4
      74.0       1.0
      75.0       5.9
      76.0       5.7
      77.0       9.0
      78.0       4.5
      79.0       3.1
      80.0       4.2
      81.0       2.9
      82.0       2.1
      83.0       1.8
      91.0       2.2
      92.0       2.3
      93.0      17.1
      94.0       4.9
      95.0       6.7
      96.0       2.4
      99.0       2.5
     103.0       2.7
     104.0       1.6
     105.0       3.0
     106.0       2.9
     107.0       3.7
     108.0       2.9
     109.0       2.7
     110.0       2.9
     111.0       2.2
     119.0       3.5
     120.0       2.6
     121.0       2.6
     122.0       4.6
     123.0       6.6
     124.0       4.1
     125.0       2.3
     126.0       1.6
     127.0       3.8
     133.0       1.0
     134.0       1.2
     135.0       5.3
     136.0       3.2
     137.0       4.1
     138.0       6.8
     139.0       7.6
     140.0       3.3
     149.0       4.1
     150.0       5.6
     151.0       4.3
     152.0       4.4
     153.0       4.8
     154.0       4.9
     155.0       3.2
     163.0       1.2
     164.0       2.2
     165.0       7.4
     166.0      10.1
     167.0       8.7
     168.0       2.3
     169.0       1.7
     178.0       1.3
     179.0       4.6
     180.0       5.1
     181.0       4.5
     182.0       3.3
     183.0       4.5
     193.0       1.3
     194.0       3.8
     195.0      18.0
     196.0       3.8
     197.0       2.7
     198.0       7.9
     208.0       1.5
     209.0       7.4
     210.0       9.5
     211.0       2.6
     212.0       1.1
     213.0       6.9
     224.0       1.5
     225.0       2.8
     228.0       1.0
     240.0       6.7
     241.0       6.3
     242.0       1.0
     254.0       1.1
     256.0       3.4
     271.0     100.0
     272.0      12.5
     273.0       2.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₃ N O₇	0.040 g : 0.5 ml CDCl₃
methyl 3,4,5-trimethoxy-2-nitrobenzoate

    Assign.     Shift(ppm)

      A             7.279
      B             3.970
      C     *1      3.958
      D     *1      3.95
      E             3.880

     Hz     ppm     Int.

    652.00   7.281    205
    355.63   3.971    810
    354.56   3.959   1000
    350.75   3.917     58
    350.44   3.913     59
    347.56   3.881    590

in CDCl3