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.

 

infrared absorption spectroscopy (IR) 
Authors: Sylvain Grosjean1 - Patrick Hodapp1

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

Analysis DOI:
Analysis ID:
Content:   
IR (ATR, ṽ) = 3060, 1580, 1524, 1481, 1451, 1346, 1298, 1219, 1150, 1070 cm–1.
Datasets