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

Formula: C16H16N2O4


Canonical SMILES:
COC(=O)c1ccc(c(c1)N)c1ccc(cc1N)C(=O)OC
InChI:
InChI=1S/C16H16N2O4/c1-21-15(19)9-3-5-11(13(17)7-9)12-6-4-10(8-14(12)18)16(20)22-2/h3-8H,17-18H2,1-2H3
InChIKey:
CQJDGQODCKARGV-UHFFFAOYSA-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, 120 °C): 300 (100) [M]+, 284 (4) [M–NH2]+, 269 (14) [M–OCH3]+, 241 (6) [M–CO2CH3]+. HRMS–EI (m/z): [M]+ Calcd. for C16H16N2O4, 300.1110; Found. 300.1111.
Datasets