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

Formula: C21H28O8S


Canonical SMILES:
CCS[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OCc1ccccc1)OC(=O)C
InChI:
InChI=1S/C21H28O8S/c1-5-30-21-20(28-15(4)24)19(26-11-16-9-7-6-8-10-16)18(27-14(3)23)17(29-21)12-25-13(2)22/h6-10,17-21H,5,11-12H2,1-4H3/t17-,18-,19+,20-,21+/m1/s1
InChIKey:
IJZVXCYUBMKLKT-ADAARDCZSA-N
Exact Mass:
Crosslinks:   


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

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Author: Benjamin Goerling
Analysis DOI:
Analysis ID:
Content:   
170.8, 169.4, 169.3, 137.8, 128.5, 127.9, 127.8, 83.7, 81.5, 76.2, 74.2, 71.2, 69.6, 62.5, 24.0, 21.0, 20.8, 20.8, 14.8
Datasets