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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 2014-05-27

13C nuclear magnetic resonance spectroscopy (13C NMR)

Author: Benjamin Goerling

Analysis DOI:

Analysis ID:

Content:

171.2 (Cquart, CO), 170.6 (Cquart, CO), 169.3 (Cquart, CO), 169.2 (Cquart, CO), 162.2 (Cquart, CTCAO), 92.1 (+, CH), 92.0 (Cquart, CCl3), 73.3 (+, CH), 71.7 (+, CH), 67.5 (+, CH), 61.5 (–, CH2, C-6), 54.8 (+, CH), 20.7 (+, 2 × CH3CO), 20.6 (+, CH3CO), 20.6 (+, CH3CO)

Datasets

1D13C

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