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

Formula: C24H26BrNO6


Canonical SMILES:
COc1c(OC)cc(cc1OC)N(c1cc(OC)c(c(c1)OC)OC)c1ccc(cc1)Br
InChI:
InChI=1S/C24H26BrNO6/c1-27-19-11-17(12-20(28-2)23(19)31-5)26(16-9-7-15(25)8-10-16)18-13-21(29-3)24(32-6)22(14-18)30-4/h7-14H,1-6H3
InChIKey:
CFBVVJRUTGPKDN-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2023-11-13This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

mass spectrometry (MS) 
Author: Steffen Otterbach1

1. IOC AK Bräse, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
FAB-MS (m/z, 3-NBA): 507/506/505/504/503 (8/40/100/41/98) [M]+, 491/490/489/488 (9/22/10/22); HRMS–FAB (m/z): [M]+ calcd for C24H26O6N179Br1, 503.0938, found 503.0936.
Datasets