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.

 

infrared absorption spectroscopy (IR) 
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:   
IR (ATR, ṽ) = 1669 (vs), 1621 (m), 1596 (w), 1561 (w), 1397 (m), 1353 (w), 1316 (m), 1298 (m), 1282 (w), 1268 (w), 1224 (s), 1194 (s), 1145 (vs), 1111 (m), 1048 (vs), 966 (w), 936 (w), 905 (m), 850 (m), 817 (m), 796 (m), 771 (s), 735 (s), 722 (s), 642 (m), 630 (m), 596 (s), 538 (m), 504 (m), 482 (vs), 397 (m) cm–1.
Datasets