Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C14H9N5/c15-19-18-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H
SMILES	[N-]=[N+]=Nc1nc2ccccc2nc1c1ccccc1
InChI Key	QZRDVUOPVSCUAT-UHFFFAOYSA-N
Molecular Formula	C14H9N5
Exact Mass	247.255 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QZRDVUOPVSCUAT-UHFFFAOYSA-N/1HNMR
License URL
Source	https://www.chemotion-repository.net/inchikey/QZRDVUOPVSCUAT-UHFFFAOYSA-N/1HNMR
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:45:56.059117
MetadataModified	2024-09-07T14:37:45.262489
MetadataPublished	2019-01-11

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

Data-Source Molecule ID	Data-Source
123713599	PubChem
The data in this table is sourced from UniChem at EBI.