Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C17H16N2O2/c1-13-17(19-16-10-6-5-9-15(16)18-13)21-12-20-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
SMILES	Cc1nc2ccccc2nc1OCOCc1ccccc1
InChI Key	BEFTXRINHQTSSE-UHFFFAOYSA-N
Molecular Formula	C17H16N2O2
Exact Mass	280.321 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BEFTXRINHQTSSE-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/BEFTXRINHQTSSE-UHFFFAOYSA-N/CHMO0000593
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:17:36.800904
MetadataModified	2024-09-07T20:44:16.471700
MetadataPublished	2021-12-09
Related Molecule

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

Data-Source Molecule ID	Data-Source
162368966	PubChem
The data in this table is sourced from UniChem at EBI.