Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H13BrN2/c1-12(2,3)10-11(13)15-9-7-5-4-6-8(9)14-10/h4-7H,1-3H3
SMILES	Brc1nc2ccccc2nc1C(C)(C)C
InChI Key	HQKZRJJQHIMFLC-UHFFFAOYSA-N
Molecular Formula	C12H13BrN2
Exact Mass	265.149 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HQKZRJJQHIMFLC-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/HQKZRJJQHIMFLC-UHFFFAOYSA-N/CHMO0000593
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:29:30.477071
MetadataModified	2024-09-07T20:59:25.092702
MetadataPublished	2022-01-10
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
162394336	PubChem
The data in this table is sourced from UniChem at EBI.