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Back ChemicalBook Home>CAS DataBase List>95-88-5More Spectrum> 4-Chlororesorcinol(95-88-5) 13C NMR

4-Chlororesorcinol(95-88-5) 13C NMR

Product Name4-Chlororesorcinol

CAS95-88-5

Molecular FormulaC6H5ClO2

Molecular Weight144.56

InChIInChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H

InChIKey JQVAPEJNIZULEK-UHFFFAOYSA-N

SmilesC1(O)=CC=C(Cl)C(O)=C1


  • Mass

    MS-NW-1188          
    4-chlororesorcinol
    C6H5ClO2            (Mass of molecular ion:    144)
    

       Source Temperature: 170 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          18.0       1.3
          26.0       3.5
          27.0       5.8
          28.0       5.3
          29.0       4.8
          32.0       1.0
          36.0       1.2
          37.0       5.3
          38.0       5.9
          39.0       6.5
          40.0       1.5
          41.0       2.2
          42.0       2.4
          43.0       3.4
          47.0       1.1
          49.0       2.5
          50.0       8.3
          51.0      26.7
          52.0      36.5
          53.0      13.7
          54.0       3.4
          55.0       3.6
          60.0       1.2
          61.0       4.2
          62.0       4.8
          63.0       9.2
          64.0       1.2
          65.0       1.1
          66.0       1.6
          67.0       1.0
          69.0      19.3
          72.0       4.8
          73.0       4.3
          74.0       1.5
          75.0       1.5
          77.0       1.0
          79.0       5.7
          80.0      21.5
          81.0      44.4
          82.0       2.7
          87.0       3.0
          88.0       1.3
          89.0       1.7
          98.0       1.7
         102.0       1.0
         109.0       2.2
         110.0       1.0
         115.0       6.6
         116.0       2.5
         117.0       2.1
         144.0     100.0
         145.0       7.1
         146.0      32.4
         147.0       2.1
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H5 Cl O2 0.041 g : 0.5 ml CDCl3
    4-chlororesorcinol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.138 B 6.53 C 6.38 D *1 5.56 E *1 5.02 J(A,C)=8.6HZ

         Hz     ppm     Int.
    

        646.50   7.219    124
        644.00   7.191    732
        635.50   7.096    912
        586.31   6.547    688
        583.63   6.517   1000
        578.94   6.465    152
        578.56   6.461    158
        576.31   6.435    620
        573.44   6.403    449
        570.50   6.371    135
        570.13   6.366    136
        567.69   6.339    458
        564.88   6.308    366
        497.81   5.559    904
        449.75   5.022    299
    

in CDCl3



KBr disc



nujol mull



4-Chlororesorcinol(95-88-5) 13C NMR Atlas of Related Products

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