This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C16H20Cl3NO10


Canonical SMILES:
CC(=O)OC[C@H]1OC(OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C(Cl)(Cl)Cl
InChI:
InChI=1S/C16H20Cl3NO10/c1-6(21)26-5-10-12(27-7(2)22)13(28-8(3)23)11(14(30-10)29-9(4)24)20-15(25)16(17,18)19/h10-14H,5H2,1-4H3,(H,20,25)/t10-,11-,12-,13-,14?/m1/s1
InChIKey:
SEEYXQVYXYGHNF-GNMOMJPPSA-N
Exact Mass:
Crosslinks:   


Published on 2014-05-27This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Author: Benjamin Goerling
Analysis DOI:
Analysis ID:
Content:   
6.90 (d, 1H, 3J = 9.4 Hz, NH), 5.80 (d, 1H, 3J = 8.8 Hz, 1-H), 5.30 (dd, 1H, 3J = 10.7 Hz, 3J = 9.4 Hz, 3-H), 5.19 (t, 1H, 3J = 9.6 Hz, 4-H), 4.33–4.24 (m, 2H, 6a-H & 2-H), 4.15 (dd, 1H, 2J = 12.5 Hz, 3J = 2.2 Hz, 6a-H), 3.86 (ddd, 1H, 3J = 9.8 Hz, 3J = 4.7 Hz, 3J = 2.2 Hz, 5-H), 2.12 (s, 3H, CH3CO), 2.11 (s, 3H, CH3CO), 2.07 (s, 3H, CH3CO), 2.06 (s, 3H, CH3CO) 
Datasets