o-Phenanthroline(66-71-7) 13C NMR
Product Nameo-Phenanthroline
CAS66-71-7
Molecular FormulaC12H8N2
Molecular Weight180.21
InChIInChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
InChIKey DGEZNRSVGBDHLK-UHFFFAOYSA-N
SmilesN1C2C(=CC=C3C=2N=CC=C3)C=CC=1
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MassMS-IW-3470 1,10-phenanthroline C12H8N2 H2O (Mass of molecular ion: 180)
Source Temperature: 130 °C Sample Temperature: 90 °C Direct, 75 eV
39.0 1.0 50.0 2.5 51.0 2.1 62.0 1.4 63.0 5.6 74.0 2.2 75.0 3.0 76.0 4.0 76.5 5.3 77.0 2.4 90.0 9.0 90.5 1.2 99.0 1.8 100.0 2.1 101.0 1.7 102.0 1.1 125.0 3.8 126.0 3.7 127.0 4.9 128.0 1.2 129.0 2.3 151.0 1.7 152.0 6.0 153.0 9.9 154.0 12.8 155.0 1.4 179.0 30.4 180.0 100.0 181.0 13.9
parameter in CDCl3
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1H NMR 300 MHz C12 H8 N2 in CDCl3 1,10-phenanthroline 
Parameter ppm Hz
D(A) 8.20 D(B) 7.58 D(C) 9.18 J(A,B) 8.1 J(A,C) 1.8 J(B,C) 4.3 D(D) 8.22 MARTIN,R.H. ET AL. TETRAHEDRON SUPPL. 8, 181 (1966)
Hz ppm Int.2757.06 9.190 250 2755.28 9.184 258 2752.77 9.176 259 2750.98 9.170 258 2466.00 8.220 1000 2463.25 8.211 258 2456.94 8.190 267 2455.16 8.184 263 2280.09 7.600 257 2275.80 7.586 254 2272.02 7.573 237 2267.72 7.559 231
in CDCl3
KBr disc
nujol mull
REDUCTION WITH LI AMALGUM IN MTHF
