Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C11H11NO2/c1-9(13)14-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,8,12H2,1H3
SMILES	CC(=O)OCC#Cc1ccccc1N
InChI Key	GNQNEWXHZQXHCS-UHFFFAOYSA-N
Molecular Formula	C11H11NO2
Exact Mass	189.211 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GNQNEWXHZQXHCS-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/GNQNEWXHZQXHCS-UHFFFAOYSA-N/CHMO0000593
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:29:33.591060
MetadataModified	2024-09-07T20:59:28.805084
MetadataPublished	2022-01-10
Related Molecule

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

Data-Source Molecule ID	Data-Source
139665687	PubChem
The data in this table is sourced from UniChem at EBI.