1H nuclear magnetic resonance spectroscopy (1H NMR)

Repository

Chemotion - Repository

The Chemotion - Repository covers research data assigned to molecules, their properties and characterization, as well as reactions and experimental investigations. It is hosted...

License

No License Provided

Export

DCAT-AP(rdf/xml) DCAT-AP(ttl) DCAT-AP(jsonld) DCAT-AP-PLUS(xml) DCAT-AP-PLUS(ttl) DCAT-AP-PLUS(jsonld)

ChemDCAT-AP(xml) ChemDCAT-AP(jsonld) ChemDCAT-AP(ttl)

Schema.Org(rdf/xml) Schema.Org(xml) Schema.Org(ttl) Schema.Org(jsonld)

Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image

InChI	InChI=1S/C22H19NO4/c1-26-21(24)17-12-6-8-14-19(17)23(16-10-4-3-5-11-16)20-15-9-7-13-18(20)22(25)27-2/h3-15H,1-2H3
SMILES	COC(=O)c1ccccc1N(c1ccccc1C(=O)OC)c1ccccc1
InChI Key	GLEIMPRXYUXSOU-UHFFFAOYSA-N
Exact Mass	361.391 g/mol

Data and Resources

1H nuclear magnetic resonance spectroscopy (1H NMR)HTML

Go to source

Metadata Information

Field	Value
DOI	10.14272/GLEIMPRXYUXSOU-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/GLEIMPRXYUXSOU-UHFFFAOYSA-N/CHMO0000593
Version
Author	Janine Haug
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-09-16
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	title : Jun23-2023-braese date : 20230624 starting time : 9.03 h label : JAH-96 id : 103473 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans instrument : spect

Data-Source Molecule ID	Data-Source
13353027	surechembl
13450289	pubchem
The data in this table is sourced from UniChem at EBI.