暈苯(191-07-1)紅外圖譜(IR2)
InChI:InChI=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
Smiles:C1=C2C3=C4C(C=C2)=CC=C2C4=C4C(C=C2)=CC=C2C4=C3C(C=C2)=C1
-

Mass
MS-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
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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
CATION RADICAL, IN CONC. H2SO4