CORONENE(191-07-1) IR1
Molecular FormulaC24H12
Molecular Weight300.35
InChIInChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H
InChIKey VPUGDVKSAQVFFS-UHFFFAOYSA-N
SmilesC1=C2C3=C4C(C=C2)=CC=C2C4=C4C(C=C2)=CC=C2C4=C3C(C=C2)=C1
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MassMS-NW-0111 coronene C24H12 (Mass of molecular ion: 300)
Source Temperature: 200 °C Sample Temperature: 0 °C Direct, 75 eV
17.0 1.0 18.0 4.0 26.0 1.8 27.0 3.4 28.0 6.6 29.0 1.9 39.0 3.8 41.0 4.9 42.0 1.6 43.0 2.6 44.0 6.7 51.0 1.2 53.0 1.0 55.0 2.6 56.0 1.3 57.0 1.7 67.0 1.3 69.0 1.4 91.0 2.4 98.0 1.0 135.0 1.2 136.0 1.3 147.0 1.8 147.5 1.5 148.0 5.8 148.5 3.7 149.0 10.7 149.5 5.4 150.0 14.8 150.5 3.8 276.0 2.4 294.0 1.2 295.0 1.2 296.0 4.7 297.0 3.6 298.0 14.2 299.0 10.1 300.0 100.0 301.0 25.5 302.0 3.2
parameter in CDCl3
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1H NMR 300 MHz C24 H12 saturated in CDCl3 coronene 
Parameter ppm Hz
D(A) 8.898
Hz ppm Int.2669.40 8.898 1000
in CDCl3
KBr disc
nujol mull
CATION RADICAL, IN CONC. H2SO4
