Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C11H10N2O2/c1-15-11(14)8-5-6-13-10-7(8)3-2-4-9(10)12/h2-6H,12H2,1H3
SMILES	COC(=O)c1ccnc2c1cccc2N
InChI Key	ZPAJMNYHAIROSQ-UHFFFAOYSA-N
Molecular Formula	C11H10N2O2
Exact Mass	202.209 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZPAJMNYHAIROSQ-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/ZPAJMNYHAIROSQ-UHFFFAOYSA-N/CHMO0000595
Version
Author	Alexander Hoffmann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:05:05.848705
MetadataModified	2025-01-29T15:58:53.796823
MetadataPublished	2024-10-10

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
68183301	PubChem
SCHEMBL11973493	SureChEMBL
The data in this table is sourced from UniChem at EBI.