2555-28-4

7-甲氧基-4-甲基香豆素(2555-28-4)紅外圖譜(IR1)

產品名稱:7-甲氧基-4-甲基香豆素

CAS:2555-28-4

分子式:C11H10O3

分子量: 190.2

InChI:InChI=1S/C11H10O3/c1-7-5-11(12)14-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3

InChIKey: UDFPKNSWSYBIHO-UHFFFAOYSA-N

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

Mass

MS-NW-7770          
7-methoxy-4-methylcoumarin
C11H10O3            (Mass of molecular ion:    190)

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

      15.0       6.4
      26.0       1.3
      27.0       3.0
      29.0       1.9
      37.0       1.5
      38.0       3.7
      39.0      13.3
      40.0       1.3
      41.0       2.4
      43.0       3.0
      45.5       1.0
      49.0       1.0
      50.0       8.0
      51.0      14.0
      52.0       4.4
      53.0       2.4
      55.0       1.1
      61.0       2.2
      62.0       5.7
      63.0      12.3
      64.0       3.6
      65.0      17.5
      66.0       1.5
      69.0       6.1
      74.0       3.9
      75.0       4.2
      76.0       4.8
      77.0      10.6
      78.0       3.5
      79.0       2.5
      81.0       1.1
      86.0       1.3
      87.0       1.5
      89.0       6.7
      90.0       4.9
      91.0      29.8
      92.0       3.0
      93.0       1.0
     101.0       1.2
     102.0       3.0
     103.0       6.4
     104.0       1.5
     105.0       1.5
     118.0       3.5
     119.0       8.5
     120.0       1.3
     131.0       2.3
     132.0       1.3
     133.0       1.8
     134.0       1.9
     146.0       1.8
     147.0      85.2
     148.0       8.6
     161.0      10.8
     162.0     100.0
     163.0      12.0
     190.0      68.4
     191.0       8.9
     192.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₀ O₃	0.033 g : 0.5 ml CDCl₃
7-methoxy-4-methylcoumarin

    Assign.     Shift(ppm)

      A             7.485
      B             6.902
      C             6.801
      D             6.123
      E             3.871
      F             2.393

     Hz     ppm     Int.

    675.88   7.547     74
    674.69   7.534     54
    667.81   7.457     77
    666.75   7.445     97
    665.31   7.429     39
    619.63   6.919     83
    617.13   6.891    126
    612.19   6.836     28
    609.19   6.803    312
    607.88   6.788     84
    606.81   6.776     29
    549.06   6.131    130
    547.81   6.117    127
    346.75   3.872   1000
    215.00   2.401    584
    213.81   2.388    560

in CDCl3