31005-02-4

7-乙氧基香豆素(31005-02-4)質(zhì)譜(MS)

產(chǎn)品名稱:7-乙氧基香豆素

CAS:31005-02-4

分子式:C11H10O3

分子量: 190.2

InChI:InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3

InChIKey: LIFAQMGORKPVDH-UHFFFAOYSA-N

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

Mass

MS-NW-6574          
7-ethoxycoumarin
C11H10O3            (Mass of molecular ion:    190)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      17.0       1.4
      18.0       5.8
      26.0       1.4
      27.0       7.5
      28.0       2.3
      29.0       8.5
      38.0       2.4
      39.0       4.9
      43.0       1.0
      44.5       2.0
      50.0       4.6
      51.0      13.6
      52.0       3.1
      53.0       1.7
      55.0       1.0
      61.0       1.1
      62.0       4.3
      63.0       9.4
      64.0       2.4
      65.0       2.7
      69.0       5.2
      74.0       1.2
      76.0       2.3
      77.0      10.5
      78.0      10.8
      79.0       2.3
      89.0       6.2
     105.0      10.9
     106.0       3.6
     133.0       4.5
     134.0     100.0
     135.0       9.2
     161.0       1.5
     162.0      37.1
     163.0       4.1
     190.0      68.1
     191.0       8.7
     192.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₀ O₃	0.048 g : 0.5 ml CDCl₃
7-ethoxycoumarin

    Assign.     Shift(ppm)

      A             7.627
      B             7.35
      C             6.82
      D             6.77
      E             6.228
      F             4.084
      G             1.452
     
     J(A,E)=9.5 HZ.

     Hz     ppm     Int.

    688.31   7.686    264
    678.81   7.580    296
    663.75   7.412    140
    662.69   7.400     59
    662.25   7.395     58
    656.44   7.330    127
    654.75   7.311    197
    654.00   7.303    123
    616.44   6.883    163
    614.00   6.856    282
    608.50   6.795    149
    607.88   6.788    154
    606.69   6.775    559
    562.13   6.277    371
    552.81   6.173    318
    376.63   4.206    116
    369.50   4.126    400
    362.56   4.049    421
    355.63   3.971    140
    136.81   1.528    472
    129.88   1.451   1000
    122.81   1.372    411

in CDCl3