5,6-Dimethyl-1,10-phenanthroline(3002-81-1) IR1
Product Name5,6-Dimethyl-1,10-phenanthroline
CAS3002-81-1
Molecular FormulaC14H12N2
Molecular Weight208.26
InChIInChI=1S/C14H12N2/c1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13/h3-8H,1-2H3
InChIKey BRPQDJPJBCQFSR-UHFFFAOYSA-N
SmilesN1C2C(=C(C)C(C)=C3C=2N=CC=C3)C=CC=1
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MassMS-KW-0504 5,6-dimethyl-1,10-phenanthroline C14H12N2 (Mass of molecular ion: 208)
Source Temperature: 170 °C Sample Temperature: 150 °C Direct, 75 eV
39.0 1.9 50.0 1.3 51.0 2.8 62.0 1.0 63.0 3.6 64.0 1.0 69.5 2.7 75.0 2.6 75.5 1.5 76.0 4.6 76.5 2.0 77.0 4.2 78.0 1.2 82.5 3.4 83.0 4.4 83.5 1.1 88.5 1.2 89.0 4.4 89.5 4.8 90.0 4.5 90.5 1.5 91.0 1.3 96.0 3.6 96.5 4.3 102.0 2.8 102.5 1.1 103.0 6.0 103.5 1.6 104.0 8.6 104.5 1.3 126.0 1.0 127.0 1.7 138.0 1.0 139.0 2.1 140.0 2.4 151.0 2.5 152.0 4.0 153.0 1.8 154.0 1.7 164.0 2.3 165.0 2.4 166.0 4.7 167.0 2.9 168.0 1.1 177.0 1.4 178.0 2.9 179.0 3.2 180.0 4.3 181.0 3.2 191.0 2.1 192.0 14.1 193.0 86.7 194.0 12.9 195.0 1.0 205.0 9.3 206.0 4.2 207.0 20.8 208.0 100.0 209.0 16.2 210.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C14 H12 N2 0.030 g : 0.5 ml CDCl3 5,6-dimethyl-1,10-phenanthroline 
Assign. Shift(ppm)
A 9.091 B 8.305 C 7.557 D 2.574 J(A,B)=1.7HZ. J(A,C)=4.3HZ. J(B,C)=8.4HZ.
Hz ppm Int.817.25 9.126 78 815.56 9.107 85 812.94 9.078 84 811.31 9.059 90 749.31 8.367 72 747.69 8.349 73 740.94 8.274 93 739.25 8.255 89 682.69 7.623 128 678.38 7.575 121 674.25 7.529 103 670.00 7.482 97 230.56 2.575 1000
in CDCl3
KBr disc
