Dataset

two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)

Chemical Info

InChI	InChI=1S/C20H14BrN3/c21-15-11-17-18(12-16(15)22)24-20(14-9-5-2-6-10-14)19(23-17)13-7-3-1-4-8-13/h1-12H,22H2
SMILES	Nc1cc2nc(c3ccccc3)c(nc2cc1Br)c1ccccc1
InChI Key	FXKWIKWIQNADDJ-UHFFFAOYSA-N
Molecular Formula	C20H14BrN3
Exact Mass	376.249 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FXKWIKWIQNADDJ-UHFFFAOYSA-N/CHMO0000598
License URL
Source	https://www.chemotion-repository.net/inchikey/FXKWIKWIQNADDJ-UHFFFAOYSA-N/CHMO0000598
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:01:36.699536
MetadataModified	2024-09-08T04:01:36.699541
MetadataPublished	2024-07-05

Field	Value
Measurement Technique	two-dimensional nuclear magnetic resonance spectroscopy
Measurement Variables

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