Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C8H9N5O2/c1-5-3-7(11-9-5)13-4-6(10-12-13)8(14)15-2/h3-4H,1-2H3,(H,9,11)
SMILES	COC(=O)c1nnn(c1)c1n[nH]c(c1)C
InChI Key	AXYCMAQNQSYSIG-UHFFFAOYSA-N
Molecular Formula	C8H9N5O2
Exact Mass	207.189 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AXYCMAQNQSYSIG-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/AXYCMAQNQSYSIG-UHFFFAOYSA-N/CHMO0000593
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:42:51.763584
MetadataModified	2024-09-08T02:42:51.763589
MetadataPublished	2024-02-14

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

Data-Source Molecule ID	Data-Source
16813008	PubChem: Thomson Pharma
11708280	PubChem
The data in this table is sourced from UniChem at EBI.