Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C11H9N5O/c17-7-8-6-16(15-14-8)11-5-12-9-3-1-2-4-10(9)13-11/h1-6,17H,7H2
SMILES	OCc1nnn(c1)c1cnc2c(n1)cccc2
InChI Key	YEBFONFGCJEMAG-UHFFFAOYSA-N
Molecular Formula	C11H9N5O
Exact Mass	227.222 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YEBFONFGCJEMAG-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/YEBFONFGCJEMAG-UHFFFAOYSA-N/CHMO0000593
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:53:33.264889
MetadataModified	2024-09-07T21:30:24.134240
MetadataPublished	2022-02-11
Related Molecule

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

Data-Source Molecule ID	Data-Source
162623370	PubChem
The data in this table is sourced from UniChem at EBI.