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返回ChemicalBook首页>CAS数据库列表>1131-52-8更多图谱> 3-乙氧基-4-甲氧基苯甲醛(1131-52-8)质谱(MS)

1131-52-8

3-乙氧基-4-甲氧基苯甲醛(1131-52-8)质谱(MS)

分子式:C10H12O3

分子量: 180.2

InChI:InChI=1S/C10H12O3/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-7H,3H2,1-2H3

InChIKey: VAMZHXWLGRQSJS-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7907          
    3-ethoxy-4-methoxybenzaldehyde
    C10H12O3            (Mass of molecular ion:    180)
    

       Source Temperature: 110 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          27.0       5.1
          28.0       1.2
          29.0       5.0
          38.0       1.1
          39.0       3.0
          41.0       2.6
          50.0       2.7
          51.0       7.6
          52.0       4.5
          53.0       2.6
          55.0       1.4
          62.0       1.4
          63.0       3.9
          64.0       1.1
          65.0       5.4
          67.0       2.0
          76.0       1.3
          77.0       6.2
          79.0       5.9
          80.0       2.8
          81.0       6.2
          91.0       1.5
          93.0       1.6
          95.0       6.1
         105.0       1.6
         108.0       2.3
         109.0       8.9
         119.0       3.1
         121.0       1.4
         123.0       6.9
         124.0       1.5
         137.0       6.4
         149.0       1.2
         151.0     100.0
         152.0      62.6
         153.0       6.0
         179.0       1.3
         180.0      73.5
         181.0       9.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H12 O3 0.037 g : 0.5 ml CDCl3
    3-ethoxy-4-methoxybenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.844 B 7.45 C 7.404 D 6.986 E 4.165 F 3.960 G 1.496

         Hz     ppm     Int.
    

        881.69   9.845    412
        672.44   7.509     73
        670.63   7.489    108
        663.13   7.405    429
        629.13   7.025    106
        620.75   6.932     74
        384.06   4.289     67
        377.00   4.210    215
        372.31   4.158     28
        370.00   4.132    227
        363.06   4.054     87
        354.69   3.961   1000
        143.00   1.597     27
        140.75   1.572    261
        138.25   1.544     29
        137.50   1.536     28
        136.88   1.529     33
        133.81   1.495    531
        131.56   1.469     32
        126.75   1.416    229
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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