Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C14H12N4/c15-18-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H,15H2,(H,17,18)
SMILES	NNc1nc2ccccc2nc1c1ccccc1
InChI Key	DUWZSLVPQIKYHU-UHFFFAOYSA-N
Molecular Formula	C14H12N4
Exact Mass	236.272 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DUWZSLVPQIKYHU-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source	https://www.chemotion-repository.net/inchikey/DUWZSLVPQIKYHU-UHFFFAOYSA-N/CHMO0000593.1
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:11:26.605495
MetadataModified	2024-09-07T20:36:09.230161
MetadataPublished	2021-10-10

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

Data-Source Molecule ID	Data-Source
DTXSID70355519	EPA CompTox Dashboard
804284	PubChem
The data in this table is sourced from UniChem at EBI.