Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C20H20N4/c1-2-8-14(9-3-1)21-19-16-11-5-4-10-15(16)18-20(23-19)24-13-7-6-12-17(24)22-18/h4-7,10-14H,1-3,8-9H2,(H,21,23)
SMILES	C1CCC(CC1)Nc1nc2c(c3c1cccc3)nc1n2cccc1
InChI Key	KESLSXGLULXVFT-UHFFFAOYSA-N
Molecular Formula	C20H20N4
Exact Mass	316.400 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KESLSXGLULXVFT-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source	https://www.chemotion-repository.net/inchikey/KESLSXGLULXVFT-UHFFFAOYSA-N/CHMO0000593.1
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:46:59.688025
MetadataModified	2024-09-07T23:35:10.411193
MetadataPublished	2022-09-23
Related Molecule

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

Data-Source Molecule ID	Data-Source
164890444	PubChem
The data in this table is sourced from UniChem at EBI.