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

 

mass spectrometry (MS) 
Author: Niklas Krappel1

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

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 170 °C), m/z (%): 413 (37) [M]+, 121 (100) [p-methoxy benzyl]+. HRMS–EI (C23H27O6N) (m/z): [M]+ calcd 413.1833; found 413.1835.
Datasets