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

Formula: C16H12N2O4


Canonical SMILES:
COC(=O)c1ccc2c(c1)nnc1c2ccc(c1)C(=O)OC
InChI:
InChI=1S/C16H12N2O4/c1-21-15(19)9-3-5-11-12-6-4-10(16(20)22-2)8-14(12)18-17-13(11)7-9/h3-8H,1-2H3
InChIKey:
IOZPTCKUVQQSAI-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2019-04-09This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Authors: Sylvain Grosjean1 - Patrick Hodapp1

1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
13C NMR (125 MHz, CDCl3, ppm) δ = 166.0 (2C, CO2CH3), 145.2 (2C, Cq), 133.7 (2C, CH), 132.1 (2C, Cq), 131.9 (2C, CH), 123.3 (2C, Cq), 122.6 (2C, CH), 53.0 (2C, CO2CH3).
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