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24262-66-6

4-乙酰氧基苯甲酸甲酯(24262-66-6)质谱(MS)

分子式:C10H10O4

分子量: 194.18

InChI:InChI=1S/C10H10O4/c1-7(11)14-9-5-3-8(4-6-9)10(12)13-2/h3-6H,1-2H3

InChIKey: PGJQPLVEUVHSFQ-UHFFFAOYSA-N

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

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    Mass

    MS-IW-4114          
    methyl p-acetoxybenzoate
    C10H10O4            (Mass of molecular ion:    194)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.0
          38.0       1.2
          39.0       3.1
          43.0      26.8
          63.0       3.2
          64.0       2.9
          65.0       7.2
          92.0       2.8
          93.0       9.1
         120.0       1.1
         121.0     100.0
         122.0       8.1
         123.0       1.7
         151.0       2.6
         152.0      60.6
         153.0       5.4
         163.0       3.1
         194.0       7.1
         195.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H10 O4 0.040 g : 0.5 ml CDCl3
    methyl p-acetoxybenzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.071 B 7.172 C 3.908 D 2.313

         Hz     ppm     Int.
    

       3232.79   8.090     31
       3230.22   8.083    235
       3228.15   8.078     79
       3223.39   8.066     78
       3221.31   8.061    266
       3218.87   8.055     35
       2873.29   7.190     33
       2870.85   7.184    265
       2868.77   7.179     75
       2864.01   7.167     79
       2861.94   7.162    232
       2859.38   7.155     33
       1561.89   3.909    929
        927.86   2.322     22
        924.68   2.314   1000
    

in CDCl3

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KBr disc

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nujol mull

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