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Back ChemicalBook Home>CAS DataBase List>104-94-9More Spectrum> p-Anisidine(104-94-9) IR1

p-Anisidine(104-94-9) IR1

Product Namep-Anisidine

CAS104-94-9

Molecular FormulaC7H9NO

Molecular Weight123.15

InChIInChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3

InChIKey BHAAPTBBJKJZER-UHFFFAOYSA-N

SmilesC1(N)=CC=C(OC)C=C1


  • Mass

    MS-NW-1537          
    p-anisidine
    C7H9NO              (Mass of molecular ion:    123)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.8
          26.0       1.5
          27.0       3.7
          28.0       5.6
          37.0       1.0
          38.0       2.2
          39.0       6.8
          40.0       1.2
          41.0       3.5
          50.0       1.8
          51.0       3.3
          52.0      10.5
          53.0      14.4
          54.0       3.8
          61.0       2.6
          62.0       1.7
          63.0       3.2
          64.0       1.7
          65.0       6.7
          66.0       1.3
          78.0       1.2
          79.0       2.0
          80.0      36.9
          81.0       2.5
          92.0       2.0
          95.0       2.3
         108.0     100.0
         109.0       7.2
         122.0       2.8
         123.0      80.5
         124.0       6.9
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H9 N O 0.048 g : 0.5 ml CDCl3
    p-anisidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.71 B 6.63 C 3.720 D 3.40

         Hz     ppm     Int.
    

        609.19   6.803     32
        608.75   6.798     35
        608.13   6.791     35
        605.81   6.765     30
        602.69   6.730     40
        599.75   6.697    264
        597.50   6.672    109
        595.38   6.648    293
        592.50   6.616     47
        589.31   6.581     35
        587.06   6.555     38
        586.38   6.548     40
        585.94   6.543     38
        333.13   3.720   1000
        304.31   3.398    454
    

in CDCl3



CCl4 solution



KBr disc



liquid film



nujol mull





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