Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C18H13N5O2/c1-25-18(24)13-8-6-12(7-9-13)16-11-23(22-21-16)17-10-19-14-4-2-3-5-15(14)20-17/h2-11H,1H3
SMILES	COC(=O)c1ccc(cc1)c1nnn(c1)c1cnc2c(n1)cccc2
InChI Key	FEZUXVAXRREZEP-UHFFFAOYSA-N
Molecular Formula	C18H13N5O2
Exact Mass	331.328 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FEZUXVAXRREZEP-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/FEZUXVAXRREZEP-UHFFFAOYSA-N/CHMO0000593
Version
Author	Chloé Liagre
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:54:14.604465
MetadataModified	2024-09-07T21:31:19.357482
MetadataPublished	2022-02-11
Related Molecule

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

Data-Source Molecule ID	Data-Source
162623368	PubChem
The data in this table is sourced from UniChem at EBI.