3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
30 32 0 0 0 0 0 0 0999 V2000
3.9994 -1.6610 -0.0032 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4490 0.6313 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9969 -1.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0250 -0.5281 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7228 0.7006 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3320 -0.9751 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1435 0.4253 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3581 -0.5742 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0330 1.9014 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5979 -1.5343 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2320 1.2817 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0531 0.6365 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3647 1.8619 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6948 -0.6708 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5138 0.7230 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3094 -0.4741 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7580 -0.0545 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8799 -2.2921 0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8802 -2.2930 -0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8162 -1.5515 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5505 2.8549 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7391 -2.6093 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1082 2.3594 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9153 2.8002 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7019 -1.0795 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3837 1.3747 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8868 1.5503 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9782 0.5168 -0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4002 -0.9391 0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9651 0.5610 0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 2 0 0 0 0
2 12 1 0 0 0 0
2 16 1 0 0 0 0
2 27 1 0 0 0 0
3 4 1 0 0 0 0
3 6 1 0 0 0 0
3 18 1 0 0 0 0
3 19 1 0 0 0 0
4 5 2 0 0 0 0
4 8 1 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 10 2 0 0 0 0
7 11 2 0 0 0 0
8 12 2 0 0 0 0
8 20 1 0 0 0 0
9 13 2 0 0 0 0
9 21 1 0 0 0 0
10 14 1 0 0 0 0
10 22 1 0 0 0 0
11 15 1 0 0 0 0
11 23 1 0 0 0 0
12 13 1 0 0 0 0
13 24 1 0 0 0 0
14 15 2 0 0 0 0
14 25 1 0 0 0 0
15 26 1 0 0 0 0
16 17 1 0 0 0 0
17 28 1 0 0 0 0
17 29 1 0 0 0 0
17 30 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
N-(9H-fluoren-2-yl)acetamide
4.2 InChI
InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)
4.3 InChIKey
CZIHNRWJTSTCEX-UHFFFAOYSA-N
4.4 Canonical SMILES
CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2
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)