Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C9H3N9O6/c10-16-13-4-1(7(19)20)5(14-17-11)3(9(23)24)6(15-18-12)2(4)8(21)22/h(H,19,20)(H,21,22)(H,23,24)
SMILES	OC(=O)c1c(N=[N+]=[N-])c(C(=O)O)c(c(c1N=[N+]=[N-])C(=O)O)N=[N+]=[N-]
InChI Key	LSJVJAOCLWCAPE-UHFFFAOYSA-N
Molecular Formula	C9H3N9O6
Exact Mass	333.177 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LSJVJAOCLWCAPE-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/LSJVJAOCLWCAPE-UHFFFAOYSA-N/CHMO0000593
Version
Author	Danny Wagner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:46:16.709995
MetadataModified	2024-09-07T22:20:00.504177
MetadataPublished	2022-06-23
Related Molecule

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

Data-Source Molecule ID	Data-Source
163407590	PubChem
The data in this table is sourced from UniChem at EBI.