Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C8H3N5/c9-4-6-1-2-8(12-13-11)3-7(6)5-10/h1-3H
SMILES	[N-]=[N+]=Nc1ccc(c(c1)C#N)C#N
InChI Key	VPMMZBDCBZVPFJ-UHFFFAOYSA-N
Molecular Formula	C8H3N5
Exact Mass	169.143 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VPMMZBDCBZVPFJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/VPMMZBDCBZVPFJ-UHFFFAOYSA-N/CHMO0000593
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:30:03.722824
MetadataModified	2024-09-08T00:29:53.563685
MetadataPublished	2023-03-01
Related Molecule

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

Data-Source Molecule ID	Data-Source
134821224	PubChem
The data in this table is sourced from UniChem at EBI.