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531-59-9

7-甲氧基香豆素(531-59-9)核磁图(13CNMR)

产品名称:7-甲氧基香豆素

CAS:531-59-9

分子式:C10H8O3

分子量: 176.17

InChI:InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3

InChIKey: LIIALPBMIOVAHH-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7447          
    7-methoxy-2-chromenone
    C10H8O3             (Mass of molecular ion:    176)
    

       Source Temperature: 160 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          15.0       1.5
          18.0       2.0
          27.0       1.1
          28.0       2.2
          37.0       1.5
          38.0       2.9
          39.0       4.6
          44.5       2.3
          45.0       1.0
          49.0       1.0
          50.0       5.5
          51.0      14.9
          52.0       1.0
          52.5       1.0
          53.0       1.5
          59.0       1.0
          61.0       2.3
          62.0       5.2
          63.0       9.7
          64.0       2.1
          65.0       1.3
          69.0       4.4
          74.0       4.3
          75.0       1.1
          76.0       3.4
          77.0      15.2
          78.0       1.6
          79.0       2.0
          87.0       1.3
          88.0       1.9
          89.0       6.3
          90.0       3.3
          91.0       3.4
         105.0       9.7
         118.0       1.5
         119.0       1.6
         120.0       2.6
         133.0      62.2
         134.0       6.8
         145.0       1.0
         148.0      66.8
         149.0       6.9
         162.0       1.4
         176.0     100.0
         177.0      11.8
         178.0       1.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H8 O3 0.037 g : 0.5 ml CDCl3
    7-methoxy-2-chromenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.646 B 7.372 C 6.831 D 6.801 E 6.250 F 3.872 J(A,E)=9.5HZ

         Hz     ppm     Int.
    

        689.69   7.701    121
        680.19   7.595    141
        665.56   7.432     80
        663.81   7.412     34
        658.38   7.352     62
        656.44   7.330    110
        618.31   6.904     80
        615.88   6.877    132
        612.69   6.842     27
        610.06   6.812    111
        608.63   6.796    290
        563.81   6.296    175
        554.38   6.191    151
        350.50   3.914     29
        346.81   3.873   1000
        342.88   3.829     26
    

in CDCl3

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KBr disc

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nujol mull

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