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

Formula: C25H22BrNO4


Canonical SMILES:
COc1ccc(cc1)COC(=O)c1cc(Br)cc2c1ccn2Cc1ccc(cc1)OC
InChI:
InChI=1S/C25H22BrNO4/c1-29-20-7-3-17(4-8-20)15-27-12-11-22-23(13-19(26)14-24(22)27)25(28)31-16-18-5-9-21(30-2)10-6-18/h3-14H,15-16H2,1-2H3
InChIKey:
AQASDUWYMYHQGN-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, 180 °C), m/z (%): 481/479 (8/7) [M]+, 121 (100) [p-methoxy benzyl]+. HRMS–EI (C25H22O4N79Br)) (m/z): [M]+ calcd 479.0727; found 479.029.
Datasets