Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C17H22N2O2/c1-2-3-4-5-6-9-12-21-17-16(13-20)18-14-10-7-8-11-15(14)19-17/h7-8,10-11,13H,2-6,9,12H2,1H3
SMILES	CCCCCCCCOc1nc2ccccc2nc1C=O
InChI Key	PIGGJTQWHRLBJO-UHFFFAOYSA-N
Molecular Formula	C17H22N2O2
Exact Mass	286.369 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PIGGJTQWHRLBJO-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/PIGGJTQWHRLBJO-UHFFFAOYSA-N/CHMO0000593
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:40:09.267831
MetadataModified	2024-09-07T22:15:10.288461
MetadataPublished	2022-04-17
Related Molecule

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

Data-Source Molecule ID	Data-Source
163197222	PubChem
The data in this table is sourced from UniChem at EBI.