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5779-94-2

2,5-二甲基苯甲醛(5779-94-2)核磁图(13CNMR)

分子式:C9H10O

分子量: 134.18

InChI:InChI=1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3

InChIKey: SMUVABOERCFKRW-UHFFFAOYSA-N

Smiles:C(=O)C1=CC(C)=CC=C1C

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    Mass

    MS-NW-5886          
    2,5-dimethylbenzaldehyde
    C9H10O              (Mass of molecular ion:    134)
    

       Source Temperature: 280 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       7.0
          29.0       1.6
          38.0       1.6
          39.0       9.8
          40.0       1.0
          41.0       1.7
          50.0       5.1
          51.0      11.9
          52.0       3.5
          53.0       4.7
          62.0       2.2
          63.0       5.9
          64.0       1.4
          65.0       5.7
          66.0       1.6
          67.0       1.7
          74.0       2.0
          75.0       1.6
          76.0       1.1
          77.0      21.5
          78.0       6.4
          79.0      15.8
          80.0       1.2
          89.0       2.0
          91.0      21.7
          92.0       1.8
         102.0       1.7
         103.0      10.1
         104.0       5.5
         105.0      71.5
         106.0       9.6
         107.0       1.8
         119.0       2.1
         122.0       1.8
         132.0       2.0
         133.0      86.6
         134.0     100.0
         135.0      10.2
         150.0       1.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H10 O 0.05 ml : 0.5 ml CDCl3
    2,5-dimethylbenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.204 B 7.574 C 7.261 D 7.119 E 2.595 F 2.355

         Hz     ppm     Int.
    

       4078.22  10.205    753
       3028.11   7.577    227
       3026.43   7.573    227
       2906.95   7.274    115
       2905.27   7.270    112
       2899.17   7.255    144
       2897.49   7.251    140
       2848.82   7.129    224
       2841.03   7.109    173
       1037.14   2.596   1000
        941.16   2.355    954
    

in CDCl3

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liquid film

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