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

Formula: C15H17NO3


Canonical SMILES:
CCOC(=O)c1cc2c([nH]1)cc(cc2)OCC1CC1
InChI:
InChI=1S/C15H17NO3/c1-2-18-15(17)14-7-11-5-6-12(8-13(11)16-14)19-9-10-3-4-10/h5-8,10,16H,2-4,9H2,1H3
InChIKey:
XSKANNIFUURLJU-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2023-07-31No License

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Author: Niklas Krappel1

1. IBCS-FMS, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.77 (bs, 1H), 7.55 (d, J = 8.8 Hz, 1H), 7.17 (d, J = 1.2 Hz, 1H), 6.86 (dd, J = 2.1 Hz, J = 8.7 Hz, 1H), 6.82 (s, 1H), 4.40 (q, J = 7.2 Hz, 2H), 3.85 (d, J = 6.8 Hz, 2H), 1.41 (t, J = 7.2 Hz, 3H), 1.36–1.28 (m, 1H), 0.70–0.65 (m, 2H), 0.40–0.37 (m, 2H).
Datasets