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

Formula: C23H27NO6


Canonical SMILES:
COCCOc1cc(C(=O)OCCOC)c2c(c1)n(cc2)Cc1ccc(cc1)OC
InChI:
InChI=1S/C23H27NO6/c1-26-10-12-29-19-14-21(23(25)30-13-11-27-2)20-8-9-24(22(20)15-19)16-17-4-6-18(28-3)7-5-17/h4-9,14-15H,10-13,16H2,1-3H3
InChIKey:
NXWRTJITFCCXAG-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 = 7.62 (d, J = 2.1 Hz, 1H), 7.16 (d, J = 3.2 Hz, 1H), 7.09 (d, J = 2.7 Hz, 1H), 7.06–7.02 (m, 3H), 6.82 (d, J = 8.7 Hz, 2H), 5.21 (s, 2H), 4.54 (t, J = 4.8 Hz, 2H), 4.17 (t, J = 4.7 Hz, 2H), 3.80–3.74 (m, 7H), 3.46 (2s, 6H).
Datasets