3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
24 26 0 0 0 0 0 0 0999 V2000
0.2768 -2.7478 -0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5050 -0.1367 0.0017 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3907 0.6872 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0561 0.6634 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8735 -0.6330 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4952 -0.6719 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2963 -1.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2859 1.7422 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2171 -0.9485 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9854 1.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8278 -1.0313 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1154 0.1185 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6555 1.4495 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3447 1.3510 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7607 0.0056 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 2.7738 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5546 -1.9789 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6836 2.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1432 -2.0677 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3674 2.2723 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0926 2.1399 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8228 -0.2250 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1606 0.6333 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8439 -1.0896 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 2 0 0 0 0
2 12 1 0 0 0 0
2 23 1 0 0 0 0
2 24 1 0 0 0 0
3 4 1 0 0 0 0
3 5 2 0 0 0 0
3 8 1 0 0 0 0
4 6 1 0 0 0 0
4 10 2 0 0 0 0
5 7 1 0 0 0 0
5 9 1 0 0 0 0
6 7 1 0 0 0 0
6 11 2 0 0 0 0
8 13 2 0 0 0 0
8 16 1 0 0 0 0
9 12 2 0 0 0 0
9 17 1 0 0 0 0
10 14 1 0 0 0 0
10 18 1 0 0 0 0
11 15 1 0 0 0 0
11 19 1 0 0 0 0
12 13 1 0 0 0 0
13 20 1 0 0 0 0
14 15 2 0 0 0 0
14 21 1 0 0 0 0
15 22 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-aminofluoren-9-one
4.2 InChI
InChI=1S/C13H9NO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H,14H2
4.3 InChIKey
SJODITPGMMSNRF-UHFFFAOYSA-N
4.4 Canonical SMILES
C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)N
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)