26791-93-5

6-硝基藜蘆酸甲酯(26791-93-5)紅外圖譜(IR1)

產(chǎn)品名稱:6-硝基藜蘆酸甲酯

CAS:26791-93-5

分子式:C10H11NO6

分子量: 241.2

InChI:InChI=1S/C10H11NO6/c1-15-8-4-6(10(12)17-3)7(11(13)14)5-9(8)16-2/h4-5H,1-3H3

InChIKey: SYYKLKHBZGFKOC-UHFFFAOYSA-N

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

Mass

MS-IW-0574          
methyl 4,5-dimethoxy-2-nitrobenzoate
C10H11NO6           (Mass of molecular ion:    241)

   Source Temperature: 170 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       4.4
      17.0       1.4
      18.0       7.9
      28.0       2.4
      30.0       3.8
      39.0       4.5
      43.0       1.7
      50.0       5.2
      51.0       1.7
      53.0       3.6
      59.0       7.3
      62.0       1.7
      63.0       1.2
      64.0       1.2
      65.0       2.1
      66.0       3.1
      69.0       4.1
      75.0       2.9
      76.0       1.6
      77.0       7.4
      78.0       3.5
      79.0       4.6
      80.0       1.5
      81.0       2.6
      82.0       7.4
      85.0       1.0
      91.0       1.0
      92.0       2.3
      93.0       8.2
      94.0       3.2
      95.0       1.9
     105.0       1.8
     106.0       1.6
     107.0       2.2
     108.0       1.3
     109.0       4.6
     121.0       4.6
     122.0       4.1
     123.0       3.0
     124.0       2.3
     125.0       1.9
     134.0       2.2
     135.0       1.3
     136.0      14.4
     137.0      11.5
     138.0       1.8
     140.0       1.0
     150.0       1.0
     151.0       3.8
     152.0       4.3
     153.0       1.6
     155.0       4.9
     164.0       1.6
     165.0       6.4
     166.0       1.6
     180.0       5.1
     181.0       4.5
     183.0       4.4
     195.0       9.9
     196.0       1.5
     210.0      29.3
     211.0      11.7
     212.0       1.4
     225.0       1.0
     241.0     100.0
     242.0      11.5
     243.0       1.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₁ N O₆	0.037 g : 0.5 ml CDCl₃
methyl 4,5-dimethoxy-2-nitrobenzoate

    Assign.     Shift(ppm)

      A             7.434
      B             7.087
      C             3.962
      D             3.895

     Hz     ppm     Int.

    665.88   7.436    186
    634.75   7.088    192
    354.94   3.964   1000
    351.63   3.927     85
    348.94   3.897    820
    344.94   3.852     44
    342.44   3.824     24

in CDCl3