Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C8H5N3O4/c9-11-10-6-3-4(7(12)13)1-2-5(6)8(14)15/h1-3H,(H,12,13)(H,14,15)
SMILES	N#[N+][N-]c1cc(ccc1C(=O)O)C(=O)O
InChI Key	IUGMVBUDECYPGB-UHFFFAOYSA-N
Molecular Formula	C8H5N3O4
Exact Mass	207.143 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IUGMVBUDECYPGB-UHFFFAOYSA-N/NMR/1H/DMSO/400
License URL
Source	https://www.chemotion-repository.net/inchikey/IUGMVBUDECYPGB-UHFFFAOYSA-N/NMR/1H/DMSO/400
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:41:57.431569
MetadataModified	2024-09-07T12:05:18.912257
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
SCHEMBL1492184	SureChEMBL
J3.200.856I	Nikkaji
89123739	PubChem
The data in this table is sourced from UniChem at EBI.