Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C17H12BrN/c18-17-7-5-15(6-8-17)13-1-3-14(4-2-13)16-9-11-19-12-10-16/h1-12H
SMILES	Brc1ccc(cc1)c1ccc(cc1)c1ccncc1
InChI Key	ZPHXKZGHHQXZKZ-UHFFFAOYSA-N
Molecular Formula	C17H12BrN
Exact Mass	310.188 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZPHXKZGHHQXZKZ-UHFFFAOYSA-N/NMR/1H/CDCl3/500
License URL
Source	https://www.chemotion-repository.net/inchikey/ZPHXKZGHHQXZKZ-UHFFFAOYSA-N/NMR/1H/CDCl3/500
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:56:10.245170
MetadataModified	2024-09-07T13:20:23.658442
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427484	PubChem
The data in this table is sourced from UniChem at EBI.