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Back ChemicalBook Home>CAS DataBase List>90-13-1More Spectrum> 1-Chloronaphthalene(90-13-1) 13C NMR

1-Chloronaphthalene(90-13-1) 13C NMR

Product Name1-Chloronaphthalene

CAS90-13-1

Molecular FormulaC10H7Cl

Molecular Weight162.62

InChIInChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

InChIKey JTPNRXUCIXHOKM-UHFFFAOYSA-N

SmilesC1(Cl)=C2C(C=CC=C2)=CC=C1


  • Mass

    MS-NW-0868          
    1-chloronaphthalene
    C10H7Cl             (Mass of molecular ion:    162)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          39.0       1.2
          50.0       4.9
          51.0       4.4
          61.0       1.7
          62.0       2.7
          63.0       9.6
          63.5       1.5
          68.0       3.1
          69.0       1.0
          74.0       5.9
          75.0       7.0
          76.0       3.0
          77.0       5.9
          81.0       7.7
          82.0       2.4
          86.0       1.5
          87.0       2.1
          98.0       2.3
          99.0       2.8
         100.0       1.6
         101.0       4.3
         125.0       2.3
         126.0      15.6
         127.0      32.8
         128.0       3.9
         161.0       1.0
         162.0     100.0
         163.0      11.3
         164.0      32.6
         165.0       3.5
    

parameter in CCl4


  • 1H NMR 300 MHz
    C10 H7 Cl 5 mol% in CCl4
    1-chloronaphthalene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.489 D(B) 7.280 D(C) 7.649 D(D) 7.736 D(E) 7.430 D(F) 7.483 D(G) 8.209 J(A,B) 7.7 J(A,C) 1.1 J(A,D) 0.0 J(A,E) 0.0 J(A,F) 0.0 J(A,G) 0.0 J(B,C) 7.8 J(B,D) 0.0 J(B,E) 0.0 J(B,F) 0.0 J(B,G) 0.0 J(C,D) 0.0 J(C,E) 0.0 J(C,F) 0.0 J(C,G) 0.7 J(D,E) 8.1 J(D,F) 1.0 J(D,G) 0.2 J(E,F) 6.8 J(E,G) 0.6 J(F,G) 7.8 EMSLEY,J.W. ET AL. J.CHEM.SOC. B 1970, 1513

         Hz     ppm     Int.
    

       2466.49   8.222    526
       2458.95   8.196    535
       2325.53   7.752    467
       2324.33   7.748    383
       2317.78   7.726    577
       2316.45   7.721    563
       2299.58   7.665    327
       2298.61   7.662    428
       2297.87   7.660    335
       2291.82   7.639    372
       2290.83   7.636    492
       2290.11   7.634    387
       2253.31   7.511    204
       2251.36   7.505    545
       2250.23   7.501    511
       2246.51   7.488    467
       2245.32   7.484    456
       2243.65   7.479    706
       2242.53   7.475    638
       2239.20   7.464    458
       2237.71   7.459    391
       2235.86   7.453    459
       2234.82   7.449    493
       2229.04   7.430    235
       2227.98   7.427    496
       2227.23   7.424    412
       2221.18   7.404    196
       2220.43   7.401    175
       2191.35   7.304    618
       2183.63   7.279   1000
       2175.90   7.253    422
    

in CDCl3



liquid film



4880 A,100M,liquid



1-Chloronaphthalene(90-13-1) 13C NMR Atlas of Related Products

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