Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C6H8N2O2/c1-2-10-6(9)4-3-5-8-7/h3-5H,2H2,1H3/b4-3+
SMILES	[N-]=[N+]=C/C=C/C(=O)OCC
InChI Key	RUXPBSBYOGWGMN-ONEGZZNKSA-N
Molecular Formula	C6H8N2O2
Exact Mass	140.140 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RUXPBSBYOGWGMN-ONEGZZNKSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/RUXPBSBYOGWGMN-ONEGZZNKSA-N/CHMO0000593
Version
Author	Nicolai Rosenbaum
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:00:56.615425
MetadataModified	2024-09-07T20:22:23.191023
MetadataPublished	2021-09-08
Related Molecule

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

Data-Source Molecule ID	Data-Source
136266614	PubChem
J3.163.136J	Nikkaji
The data in this table is sourced from UniChem at EBI.