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

Formula: C28H22N2O4


Canonical SMILES:
COC(=O)c1ccc(cc1)c1ccc(c(c1)/N=N/c1ccccc1)c1ccc(cc1)C(=O)OC
InChI:
InChI=1S/C28H22N2O4/c1-33-27(31)21-12-8-19(9-13-21)23-16-17-25(20-10-14-22(15-11-20)28(32)34-2)26(18-23)30-29-24-6-4-3-5-7-24/h3-18H,1-2H3/b30-29+
InChIKey:
ZXLPWFPKJLSDGY-QVIHXGFCSA-N
Exact Mass:
Crosslinks:   


Published on 2019-04-06This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

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

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

Analysis DOI:
Analysis ID:
Content:   
EI (m/z, 70 eV, 220 °C): 450 (94) [M]+, 435 (100) [M–CH3]+, 391 (60) [M–CO2CH3]+. HRMS–EI (m/z): [M]+ calcd for C28H22N2O4, 450.1580; found, 450.1577.
Datasets