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

Formula: C12H9Cl3O6


Canonical SMILES:
COC(=O)c1c(Cl)c(C(=O)OC)c(c(c1Cl)C(=O)OC)Cl
InChI:
InChI=1S/C12H9Cl3O6/c1-19-10(16)4-7(13)5(11(17)20-2)9(15)6(8(4)14)12(18)21-3/h1-3H3
InChIKey:
YDTPGQNDWOTCLE-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2023-12-05No License

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Author: Lisa Schmidt1

1. IOC AK Bräse, Karlsruhe Institute of Technology, Deutschland

Analysis DOI:
Analysis ID:
Content:   
13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 163.3 (3C, Cq, CO2Me), 133.4 (3C, Cq), 130.3 (3C, Cq), 53.5 (3C+, CH3).
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