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

Formula: C10H5F3N2O3


Canonical SMILES:
OC(=O)c1ccc2c(c1)nc(c(=O)[nH]2)C(F)(F)F
InChI:
InChI=1S/C10H5F3N2O3/c11-10(12,13)7-8(16)15-5-2-1-4(9(17)18)3-6(5)14-7/h1-3H,(H,15,16)(H,17,18)
InChIKey:
QCOIWEBIQVDGKJ-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2025-03-14This work is licensed under a Creative Commons Attribution 4.0 International License.

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Authors: Kameswara Sishta1 - Laura Holzhauer1

1. Institute of Biological and Chemical Systems - Functional Molecular Systems (IBCS-FMS), Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
13C NMR (100 MHz, DMSO-d6 [39.5 ppm], ppm) δ = 166.1 (1C, CO2H), 151.7 (1C, CO), 146.1 (q, 2JCF = 32.7 Hz, 1C, CCF3), 134.5 (1C, Cq), 133.6 (1C, Cq), 132.1 (1C, Cq), 130.2 (1C, CHar), 124.0 (1C, CHar), 119.9 (q, 1JCF = 276.4 Hz, 1C, CF3), 117.1 (1C, CHar).
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