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

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Author: Niklas Krappel1

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

Analysis DOI:
Analysis ID:
Content:   
13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 167.2 (Cq), 159.1 (Cq), 154.3 (Cq), 137.7 (Cq), 129.5,(CH) 129.0 (Cq), 128.0 (2CH), 123.4 (Cq), 121.9 (Cq), 114.2 (2CH), 111.9 (CH), 102.6 (CH), 100.8 (CH), 71.1 (CH2), 70.6 (CH2), 68.2 (CH2), 63.7 (CH2), 59.2 (CH3), 59.0 (CH3), 55.2 (CH3), 49.7 (CH2).
Datasets