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

Formula: C10H8N2O2


Canonical SMILES:
COc1cc(C#N)c(cc1OC)C#N
InChI:
InChI=1S/C10H8N2O2/c1-13-9-3-7(5-11)8(6-12)4-10(9)14-2/h3-4H,1-2H3
InChIKey:
BDSTWWJVHJRQHV-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2025-03-07This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Author: Lukas Langer1

1. IOC, Karlsruhe Institute of Technology, Deutschland

Analysis DOI:
Analysis ID:
Content:   
1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.16 (s, 2H), 3.98 (s, 6H). Impurities: 1.58 (water), 0.07 (grease).
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