Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C21H32N2O2/c1-18-21(23-20-15-11-10-14-19(20)22-18)25-17-13-9-7-5-3-2-4-6-8-12-16-24/h10-11,14-15,24H,2-9,12-13,16-17H2,1H3
SMILES	OCCCCCCCCCCCCOc1nc2ccccc2nc1C
InChI Key	AFPCGBNHTHEPQU-UHFFFAOYSA-N
Molecular Formula	C21H32N2O2
Exact Mass	344.491 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AFPCGBNHTHEPQU-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/AFPCGBNHTHEPQU-UHFFFAOYSA-N/CHMO0000593
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:37:36.502004
MetadataModified	2024-09-07T22:13:05.148736
MetadataPublished	2022-04-17
Related Molecule

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

Data-Source Molecule ID	Data-Source
163197214	PubChem
The data in this table is sourced from UniChem at EBI.