Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C11H12N2O2/c1-6(14)9-3-7-4-11(15-2)8(12)5-10(7)13-9/h3-5,13H,12H2,1-2H3
SMILES	COc1cc2cc([nH]c2cc1N)C(=O)C
InChI Key	GMQHYVDUNUVNOT-UHFFFAOYSA-N
Molecular Formula	C11H12N2O2
Exact Mass	204.225 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GMQHYVDUNUVNOT-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/GMQHYVDUNUVNOT-UHFFFAOYSA-N/CHMO0000593
Version
Author	Lena J. Daumann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:50:58.719152
MetadataModified	2024-09-07T23:40:22.176603
MetadataPublished	2022-11-02
Related Molecule

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

Data-Source Molecule ID	Data-Source
165416612	PubChem
The data in this table is sourced from UniChem at EBI.