3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
26 29 0 0 0 0 0 0 0999 V2000
0.8966 -0.0001 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1039 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1040 1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2885 -0.7124 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2885 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2897 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7103 -2.3817 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7108 2.3814 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4710 -1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4708 1.4274 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9032 -1.2678 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9036 1.2678 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1155 -2.4394 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1159 2.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6673 -0.7040 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6673 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1282 -3.2972 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1286 3.2969 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4833 -2.5113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4830 2.5116 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9868 -1.3542 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9872 1.3540 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6080 -3.4090 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6083 3.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6154 -1.2361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6153 1.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 6 2 0 0 0 0
2 4 1 0 0 0 0
2 7 2 0 0 0 0
3 5 1 0 0 0 0
3 8 2 0 0 0 0
4 5 1 0 0 0 0
4 9 2 0 0 0 0
5 10 2 0 0 0 0
6 11 1 0 0 0 0
6 12 1 0 0 0 0
7 13 1 0 0 0 0
7 17 1 0 0 0 0
8 14 1 0 0 0 0
8 18 1 0 0 0 0
9 15 1 0 0 0 0
9 19 1 0 0 0 0
10 16 1 0 0 0 0
10 20 1 0 0 0 0
11 13 2 0 0 0 0
11 21 1 0 0 0 0
12 14 2 0 0 0 0
12 22 1 0 0 0 0
13 23 1 0 0 0 0
14 24 1 0 0 0 0
15 16 2 0 0 0 0
15 25 1 0 0 0 0
16 26 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
fluoranthene
4.2 InChI
InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H
4.3 InChIKey
GVEPBJHOBDJJJI-UHFFFAOYSA-N
4.4 Canonical SMILES
C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC=C4
4.5 Isomeric SMILES
-
4.6 SDF file
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
5.4 Infrared spectroscopy (IR)
5.5 Ultraviolet/visible spectroscopy (UV/Vis)