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2478-38-8

乙酰丁香酮(2478-38-8)质谱(MS)

产品名称:乙酰丁香酮

CAS:2478-38-8

分子式:C10H12O4

分子量: 196.2

InChI:InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3

InChIKey: OJOBTAOGJIWAGB-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7985          
    4'-hydroxy-3',5'-dimethoxyacetophenone
    C10H12O4            (Mass of molecular ion:    196)
    

       Source Temperature: 180 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          15.0       2.9
          27.0       1.0
          28.0       1.9
          38.0       1.7
          39.0       4.5
          41.0       1.6
          43.0      15.9
          50.0       2.6
          51.0       2.4
          52.0       1.2
          53.0       2.6
          65.0       5.7
          66.0       1.8
          67.0       3.6
          77.0       1.9
          78.0       1.7
          79.0       2.0
          81.0       1.0
          82.0       2.1
          84.0       1.0
          85.0       2.1
          93.0       4.0
          95.0       1.2
         108.0       3.5
         110.0       3.0
         122.0       1.5
         123.0       2.9
         125.0       1.6
         135.0       1.3
         137.0       1.2
         138.0       3.8
         153.0      13.2
         154.0       1.2
         181.0     100.0
         182.0      10.3
         183.0       1.3
         195.0       1.3
         196.0      58.2
         197.0       6.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H12 O4 0.037 g : 0.5 ml CDCl3
    4'-hydroxy-3',5'-dimethoxyacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.250 B 6.13 C 3.949 D 2.574

         Hz     ppm     Int.
    

        649.38   7.251    296
        548.63   6.126     63
        353.75   3.950   1000
        350.19   3.911     26
        230.63   2.576    587
    

in CDCl3

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KBr disc

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nujol mull

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