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

Formula: C22H17N3O6


Canonical SMILES:
COC(=O)c1ccc(c(c1)/N=N/c1ccccc1[N+](=O)[O-])c1ccc(cc1)C(=O)OC
InChI:
InChI=1S/C22H17N3O6/c1-30-21(26)15-9-7-14(8-10-15)17-12-11-16(22(27)31-2)13-19(17)24-23-18-5-3-4-6-20(18)25(28)29/h3-13H,1-2H3/b24-23+
InChIKey:
MIMQYKWERRPGSK-WCWDXBQESA-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: Jérôme Wagner1 - Patrick Hodapp1 - Sylvain Grosjean1

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

Analysis DOI:
Analysis ID:
Content:   
MS (FAB, Matrix: 3-NBA), m/z (%): 420 (22) [M+H]+, 388 (22) [M−HOCH3]+, 371 (22) [M−HCOOCH3]+, 327 (39), 277 (33), 239 (44), 217 (50), 195 (61), 165 (100).
Datasets