3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
51 50 0 0 0 0 0 0 0999 V2000
-8.4449 1.3961 0.0091 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.6085 -0.5880 0.0826 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7490 0.3979 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5031 -0.4903 -0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0610 -0.3933 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8082 0.3018 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3449 0.4415 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0929 -0.5319 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6234 -0.3997 -0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3703 0.3110 -0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8663 0.4853 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6114 -0.5784 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1784 -0.3047 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9282 0.2052 0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4573 0.5313 0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1906 -0.6548 0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7310 -0.2978 0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4595 0.1685 0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7391 1.0371 -0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7151 1.0662 0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5329 -1.1559 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5171 -1.1323 0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0915 -1.0516 -0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0531 -1.0514 0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8203 0.9388 -1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8179 0.9808 0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3448 1.1270 -0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3378 1.0645 0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1109 -1.1858 -0.9823 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0691 -1.1873 0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6647 -0.9760 -1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6079 -1.1198 0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3369 0.9983 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4311 0.9230 -0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8819 1.2007 -0.7837 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8081 1.0748 0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6281 -1.2782 -0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5462 -1.1850 0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1609 -1.0155 0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2224 -0.9075 -0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9284 0.8771 0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9613 0.8532 -0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4437 1.1068 1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4748 1.2579 -0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1986 -1.3337 -0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2018 -1.2663 1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7953 -0.8560 -0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7647 -1.0132 0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6101 0.3502 0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5233 -0.1498 0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5881 -1.6020 0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 2 0 0 0 0
2 18 1 0 0 0 0
2 50 1 0 0 0 0
2 51 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
3 19 1 0 0 0 0
3 20 1 0 0 0 0
4 6 1 0 0 0 0
4 21 1 0 0 0 0
4 22 1 0 0 0 0
5 7 1 0 0 0 0
5 23 1 0 0 0 0
5 24 1 0 0 0 0
6 8 1 0 0 0 0
6 25 1 0 0 0 0
6 26 1 0 0 0 0
7 9 1 0 0 0 0
7 27 1 0 0 0 0
7 28 1 0 0 0 0
8 10 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 11 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
10 12 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 13 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 14 1 0 0 0 0
12 37 1 0 0 0 0
12 38 1 0 0 0 0
13 15 1 0 0 0 0
13 39 1 0 0 0 0
13 40 1 0 0 0 0
14 16 1 0 0 0 0
14 41 1 0 0 0 0
14 42 1 0 0 0 0
15 17 1 0 0 0 0
15 43 1 0 0 0 0
15 44 1 0 0 0 0
16 18 1 0 0 0 0
16 45 1 0 0 0 0
16 46 1 0 0 0 0
17 47 1 0 0 0 0
17 48 1 0 0 0 0
17 49 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
hexadecanamide
4.2 InChI
InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)
4.3 InChIKey
HSEMFIZWXHQJAE-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCC(=O)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)
