3002-78-6

5-甲基-1,10-菲咯啉(3002-78-6)紅外圖譜(IR1)

產(chǎn)品名稱:5-甲基-1,10-菲咯啉

CAS:3002-78-6

分子式:C13H10N2

分子量: 194.23

InChI:InChI=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

Smiles:N1C2C(=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

    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

    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