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

Formula: C14H12N2O3


Canonical SMILES:
Cc1nc(C)cc(c1)C(=O)c1ccccc1[N+](=O)[O-]
InChI:
InChI=1S/C14H12N2O3/c1-9-7-11(8-10(2)15-9)14(17)12-5-3-4-6-13(12)16(18)19/h3-8H,1-2H3
InChIKey:
FRUIOTIVENFZJQ-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2021-12-21This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Author: Sylvia Vanderheiden-Schroen1

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

Analysis DOI:
Analysis ID:
Content:   
13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 193.2 (C=O), 159.3 (Cq, 2C), 146.5 (Cq), 142.7 (Cq), 135.2 (Cq), 134.5 (CH), 131.1 (CH), 128.8 (CH), 124.6 (CH), 118.3 (CH, 2C), 24.5 (CH3, 2C). Impurities: The spectrum contains ~5% of unknown impurities.
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