5-METHYL-1,10-PHENANTHROLINE(3002-78-6) MS
Product Name5-METHYL-1,10-PHENANTHROLINE
CAS3002-78-6
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
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MassMS-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
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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
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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
KBr disc
