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18144-43-9

对氨基苯甲酸异丙酯(18144-43-9)质谱(MS)

分子式:C10H13NO2

分子量: 179.22

InChI:InChI=1S/C10H13NO2/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7H,11H2,1-2H3

InChIKey: JWCPZKNBPMSYND-UHFFFAOYSA-N

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

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    Mass

    MS-NW-3783          
    isopropyl p-aminobenzoate
    C10H13NO2           (Mass of molecular ion:    179)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.1
          27.0       3.8
          28.0       1.1
          38.0       1.6
          39.0       8.0
          41.0       5.7
          42.0       1.4
          43.0       4.3
          52.0       1.5
          59.0       1.0
          63.0       2.5
          64.0       2.6
          65.0      18.2
          66.0       2.7
          91.0       2.5
          92.0      18.6
          93.0       4.1
         108.0       1.4
         119.0       1.2
         120.0     100.0
         121.0      14.8
         122.0       1.1
         134.0       1.3
         136.0       1.2
         137.0      67.6
         138.0       6.4
         164.0       1.1
         179.0      40.6
         180.0       4.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H13 N O2 0.043 g : 0.5 ml CDCl3
    isopropyl p-aminobenzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.84 B 6.62 C 5.19 D 4. E 1.327

         Hz     ppm     Int.
    

        706.81   7.893    154
        704.88   7.871     52
        700.13   7.818     51
        698.06   7.795    179
        695.56   7.767     29
        596.75   6.664    112
        595.00   6.644     47
        590.00   6.588     38
        588.06   6.567     97
        585.69   6.540     23
        471.56   5.266     57
        465.31   5.196     78
        459.13   5.127     59
        452.81   5.056     25
        122.06   1.363   1000
        117.69   1.315     39
        115.81   1.294    968
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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