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

Formula: C26H18N4O4


Canonical SMILES:
OC(=O)c1ccc(c(c1)/N=N/c1ccccc1)c1ccc(cc1/N=N/c1ccccc1)C(=O)O
InChI:
InChI=1S/C26H18N4O4/c31-25(32)17-11-13-21(23(15-17)29-27-19-7-3-1-4-8-19)22-14-12-18(26(33)34)16-24(22)30-28-20-9-5-2-6-10-20/h1-16H,(H,31,32)(H,33,34)/b29-27+,30-28+
InChIKey:
CJJZJSCXADBIBJ-QAVVBOBSSA-N
Exact Mass:
Crosslinks:   


Published on 2019-04-09This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

mass spectrometry (MS) 
Authors: Sylvain Grosjean1 - Patrick Hodapp1

1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
EI (m/z, 70 eV, 210 °C): 345 (86) [M–C6H5N2]+. FAB (m/z): 451 [MH]+, 345 [M-C6H5N2]+. HRMS–FAB (m/z): [M + H]+ Calcd. for C18H19N4O4, 451.1401; Found. 451.1400.
Datasets