Dataset

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

Chemical Info

InChI	InChI=1S/C17H9F4N3/c18-11-7-5-10(6-8-11)14-9-22-16-15(17(19,20)21)23-12-3-1-2-4-13(12)24(14)16/h1-9H
SMILES	Fc1ccc(cc1)c1cnc2n1c1ccccc1nc2C(F)(F)F
InChI Key	QRCGOTOQYUXBIH-UHFFFAOYSA-N
Molecular Formula	C17H9F4N3
Exact Mass	331.267 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QRCGOTOQYUXBIH-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/QRCGOTOQYUXBIH-UHFFFAOYSA-N/CHMO0001146
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-03-15T03:10:50.116132
MetadataModified	2025-03-16T03:10:33.124667
MetadataPublished	2025-03-14
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	temperature : 300.1 K PULPROG : hsqcedetgp number of scans : 2 scans title : KSS-R15-13-17 date : 20231116 starting time : 23.39 h instrument : spect label : KSS-46 id : 282522 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.