Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C16H8Br2FN5/c17-11-5-13-14(6-12(11)18)21-16(7-20-13)24-8-15(22-23-24)9-1-3-10(19)4-2-9/h1-8H
SMILES	Fc1ccc(cc1)c1nnn(c1)c1cnc2c(n1)cc(c(c2)Br)Br
InChI Key	YIWVXUFWXSUZKW-UHFFFAOYSA-N
Molecular Formula	C16H8Br2FN5
Exact Mass	449.075 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YIWVXUFWXSUZKW-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/YIWVXUFWXSUZKW-UHFFFAOYSA-N/CHMO0000595
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-03-15T03:10:40.148535
MetadataModified	2025-03-16T03:10:14.996058
MetadataPublished	2025-03-14
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 4096 Title : KSS-R31_6-9 Date : 20240126 Start time : 3.32 h Instrument : spect Label : KSS-54 ID : 117714 Solvent : chloroform-D1 (CDCl3)

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