3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
43 43 0 1 0 0 0 0 0999 V2000
-6.5526 0.4439 0.4328 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9270 -1.3078 -1.2022 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1936 2.0401 -0.4966 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0793 0.2141 0.1197 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1731 -0.2974 -0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8659 0.3364 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4183 0.2905 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6139 -0.3012 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7296 -0.2913 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3987 -0.2431 -0.1934 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9534 -1.2070 0.8285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6751 0.2989 0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9784 0.3463 0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4361 -0.9517 0.7338 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9379 -0.3632 -0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2537 -0.2796 -0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3785 0.8965 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4993 0.3755 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1444 -1.3779 -0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2479 -0.1658 -1.4167 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8756 1.4089 -0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8156 0.2468 1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3643 0.1192 1.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4234 1.3775 0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6331 -0.1785 -1.5432 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6265 -1.3812 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7431 -1.3721 -0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7579 -0.1591 -1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4379 -0.6667 -1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5976 -0.9525 1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6851 -2.2498 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7215 1.3670 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6792 0.2066 1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9740 1.4242 0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9577 0.2207 1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9067 -1.5221 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9514 -1.1699 1.6734 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9783 0.9824 0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2668 -0.1759 -1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2735 -1.3523 0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5261 1.4439 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3987 -0.0878 0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5334 0.2640 1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 17 1 0 0 0 0
2 15 2 0 0 0 0
3 17 2 0 0 0 0
4 10 1 0 0 0 0
4 15 1 0 0 0 0
4 38 1 0 0 0 0
5 6 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 12 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 13 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 11 1 0 0 0 0
10 17 1 0 0 0 0
10 29 1 0 0 0 0
11 14 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 15 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 16 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
16 18 1 0 0 0 0
16 39 1 0 0 0 0
16 40 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
18 43 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
N-[(3S)-2-oxooxolan-3-yl]decanamide
4.2 InChI
InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1
4.3 InChIKey
TZWZKDULKILUPV-LBPRGKRZSA-N
4.4 Canonical SMILES
CCCCCCCCCC(=O)NC1CCOC1=O
4.5 Isomeric SMILES
CCCCCCCCCC(=O)N[C@H]1CCOC1=O
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)
