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

Formula: C19H17N3


Canonical SMILES:
CC(c1nc2ccccc2n2c1ncc2c1ccccc1)C
InChI:
InChI=1S/C19H17N3/c1-13(2)18-19-20-12-17(14-8-4-3-5-9-14)22(19)16-11-7-6-10-15(16)21-18/h3-13H,1-2H3
InChIKey:
BHEXWVNDDWQKFM-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2025-03-14This work is licensed under a Creative Commons Attribution 4.0 International License.

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Authors: Kameswara Sishta1 - Laura Holzhauer1

1. Institute of Biological and Chemical Systems - Functional Molecular Systems (IBCS-FMS), Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
13C NMR (100 MHz, Chloroform-d [77.16 ppm], ppm) δ = 157.3 (Cq), 147.7 (Cq), 142.5 (Cq), 142.4 (Cq), 139.1 (Cq), 130.9 (CHar), 130.5 (CHar), 130.1 (Cq), 129.1 (2C, CHar), 129.1 (CHar), 128.8 (CHar) , 128.8 (CHar), 126.2 (2C, CHar), 120.6 (CHimidazole), 31.8 (CHCH3), 22.1 (2C, CH3). Spectrum contains minor aromatic impurities at 132.0 and 131.8 as well as grease at 29.9 ppm. Spectrum with higher purity taken from other batch of the reaction.
Datasets