3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
33 32 0 0 0 0 0 0 0999 V2000
-7.1300 -0.5783 -0.0637 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.6032 0.4945 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6852 -0.3026 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8735 -0.3391 0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9539 0.5397 0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1284 0.4981 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2438 -0.2702 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3976 -0.3483 0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5125 0.5758 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6794 0.4409 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7441 -0.2613 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6728 -0.4492 -0.6662 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6268 1.3443 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5869 0.9135 -1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7177 -1.1403 -0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6661 -0.7384 1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8495 -1.1939 -0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9048 -0.7427 1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9550 1.0078 -0.9398 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9383 1.3540 0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1675 1.3371 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0845 0.9241 -1.1096 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2607 -1.0748 -0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2302 -0.7560 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4297 -0.7852 1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3478 -1.1862 -0.6678 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5102 1.3689 0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5228 1.0699 -0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6806 0.8735 -1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7768 1.2559 0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8846 -0.7319 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5438 -1.0633 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5823 0.0008 -1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
2 13 1 0 0 0 0
2 14 1 0 0 0 0
3 5 1 0 0 0 0
3 15 1 0 0 0 0
3 16 1 0 0 0 0
4 6 1 0 0 0 0
4 17 1 0 0 0 0
4 18 1 0 0 0 0
5 7 1 0 0 0 0
5 19 1 0 0 0 0
5 20 1 0 0 0 0
6 8 1 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
7 9 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 10 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 11 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 12 2 0 0 0 0
11 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
11-chloroundec-1-ene
4.2 InChI
InChI=1S/C11H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-11H2
4.3 InChIKey
PSEVKFKRYVAODC-UHFFFAOYSA-N
4.4 Canonical SMILES
C=CCCCCCCCCCCl
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)
