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Back ChemicalBook Home>CAS DataBase List>3002-78-6More Spectrum> 5-METHYL-1,10-PHENANTHROLINE(3002-78-6) 13C NMR

5-METHYL-1,10-PHENANTHROLINE(3002-78-6) 13C NMR

Molecular FormulaC13H10N2

Molecular Weight194.23

InChIInChI=1S/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3

InChIKey UJAQYOZROIFQHO-UHFFFAOYSA-N

SmilesN1C2C(=C(C)C=C3C=2N=CC=C3)C=CC=1


  • Mass

    MS-NW-7801          
    5-methyl-1,10-phenanthroline
    C13H10N2            (Mass of molecular ion:    194)
    

       Source Temperature: 160 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          39.0       2.2
          50.0       1.4
          51.0       1.9
          62.0       1.2
          63.0       3.0
          69.5       2.0
          70.5       1.8
          74.0       1.0
          75.0       1.4
          76.0       1.1
          82.5       2.5
          83.0       1.8
          83.5       2.5
          84.0       2.7
          87.0       1.1
          88.0       1.0
          89.0       1.1
          96.0       1.4
          96.5       1.6
          97.0       3.0
         113.0       1.3
         114.0       1.4
         138.0       1.2
         139.0       3.9
         140.0       4.5
         141.0       1.3
         164.0       2.4
         165.0       2.0
         166.0       6.3
         167.0       5.7
         168.0       3.2
         191.0       1.1
         192.0       8.9
         193.0      26.2
         194.0     100.0
         195.0      14.9
         196.0       1.1
    

90 MHz in CDCl3

400 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C13 H10 N2 0.040 g : 0.5 ml CDCl3
    5-methyl-1,10-phenanthroline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.15 B 9.10 C 8.30 D 8.07 E 7.61 F 7.54 G 7.50 J 2.66

         Hz     ppm     Int.
    

        823.38   9.194    160
        821.63   9.175    173
        819.06   9.146    176
        817.38   9.127    313
        815.69   9.108    161
        813.06   9.079    155
        811.31   9.059    157
        748.88   8.362    162
        747.19   8.343    163
        740.56   8.269    212
        738.88   8.251    210
        727.88   8.128    128
        726.13   8.108    129
        719.75   8.037    177
        718.06   8.018    172
        686.94   7.671    297
        682.63   7.623    283
        680.69   7.601    272
        678.63   7.578    239
        676.31   7.552    255
        674.31   7.530    234
        672.56   7.510    282
        671.81   7.502    237
        670.75   7.490    235
        668.25   7.462    201
        239.06   2.670    973
        237.94   2.657   1000
        235.06   2.625     44
    


  • 1H NMR 399.65 MHz
    C13 H10 N2 7.7 mg : 0.5 ml CDCl3
    5-methyl-1,10-phenanthroline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.202 B 9.130 C 8.393 D 8.150 E 7.671 F 7.60 G 7.597 J 2.753 J(A,E)=4.3HZ. J(A,C)=1.6HZ. J(B,G)=4.4HZ. J(B,D)=1.8HZ. J(F,J)=1.2HZ.

         Hz     ppm     Int.
    

       3680.54   9.210    133
       3678.96   9.206    137
       3676.27   9.199    141
       3674.68   9.195    138
       3651.86   9.138    121
       3650.02   9.134    129
       3647.46   9.127    129
       3645.75   9.123    126
       3359.62   8.407    168
       3357.91   8.403    169
       3351.32   8.386    185
       3349.61   8.382    183
       3262.33   8.163    140
       3260.62   8.159    142
       3254.27   8.143    152
       3252.56   8.139    151
       3072.14   7.688    221
       3067.87   7.677    221
       3063.84   7.667    212
       3059.57   7.656    210
       3041.75   7.612    217
       3037.35   7.601    404
       3033.69   7.591    203
       3029.42   7.581    194
       1100.95   2.755   1000
       1099.85   2.753    961
       1095.83   2.742     35
    

in CDCl3



KBr disc





5-METHYL-1,10-PHENANTHROLINE(3002-78-6) 13C NMR Atlas of Related Products

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