487-06-9

5,7-二甲氧基香豆素(487-06-9)质谱(MS)

产品名称:5,7-二甲氧基香豆素

CAS:487-06-9

分子式:C11H10O4

分子量: 206.19

InChI:InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3

InChIKey: NXJCRELRQHZBQA-UHFFFAOYSA-N

Smiles:C1(=O)OC2=CC(OC)=CC(OC)=C2C=C1

Mass

MS-NW-8243          
5,7-dimethoxycoumarin
C11H10O4            (Mass of molecular ion:    206)

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

      15.0       1.9
      18.0       1.3
      38.0       3.4
      39.0       2.5
      43.0       1.0
      50.0       3.0
      51.0       3.7
      53.0       2.3
      59.0       2.2
      61.0       1.3
      62.0       2.5
      63.0       5.5
      64.0       2.9
      65.0       2.2
      66.0       2.7
      69.0       7.6
      74.0       1.7
      75.0       2.0
      76.0       4.5
      77.0       5.1
      78.0       1.1
      79.0       2.9
      89.0       6.5
      91.0       2.3
      92.0       6.3
     103.0       1.2
     104.0       1.2
     105.0       1.6
     107.0       3.3
     119.0       2.7
     120.0       4.5
     121.0       2.8
     133.0       3.2
     135.0      17.2
     136.0       1.7
     137.0       1.0
     147.0       2.0
     148.0       2.1
     149.0       4.0
     163.0      37.0
     164.0       4.7
     165.0       1.0
     175.0       1.2
     177.0       4.3
     178.0      72.6
     179.0       7.9
     206.0     100.0
     207.0      12.2
     208.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₀ O₄	0.040 g : 0.5 ml CDCl₃
5,7-dimethoxycoumarin

    Assign.     Shift(ppm)

      A             7.947
      B             6.388
      C             6.271
      D             6.140
      E     *1      3.887
      F     *1      3.850

     Hz     ppm     Int.

   3181.27   7.961    153
   3180.79   7.959    152
   3171.63   7.937    158
   3171.14   7.935    158
   2554.08   6.391    152
   2552.12   6.386    161
   2507.45   6.275    196
   2505.37   6.269    177
   2458.62   6.152    221
   2448.97   6.128    219
   1553.59   3.888    945
   1538.70   3.851   1000

in CDCl3