Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Info

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)
SMILES	OC(=O)c1ccc2c(c1)nc(c(=O)[nH]2)C(F)(F)F
InChI Key	QCOIWEBIQVDGKJ-UHFFFAOYSA-N
Molecular Formula	C10H5F3N2O3
Exact Mass	258.154 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QCOIWEBIQVDGKJ-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/QCOIWEBIQVDGKJ-UHFFFAOYSA-N/CHMO0001146
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-03-15T03:11:02.649662
MetadataModified	2025-03-16T03:10:58.337734
MetadataPublished	2025-03-14
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	temperature : 300.0 K PULPROG : hsqcedetgp number of scans : 2 scans title : KSS-R28_DMSO date : 20240111 starting time : 2.31 h instrument : spect label : KSS-78 id : 287529 Solvent : DMSO

Data-Source Molecule ID	Data-Source
154312066	PubChem
The data in this table is sourced from UniChem at EBI.