1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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(tll) DCAT-AP-PLUS(jsonld)

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

Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image

InChI	InChI=1S/C31H21N/c1-2-10-21(11-3-1)32-22-18-19-26-25-14-6-9-17-29(25)31(30(26)20-22)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31/h1-20,32H
SMILES	c1ccc(cc1)Nc1ccc2-c3c(C4(c2c1)c1ccccc1-c1c4cccc1)cccc3
InChI Key	BPFLUERWRVODEW-UHFFFAOYSA-N
Exact Mass	407.505 g/mol

Data and Resources

1H--13C heteronuclear single quantum coherence...HTML

Go to source

Metadata Information

Field	Value
DOI	10.14272/BPFLUERWRVODEW-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/BPFLUERWRVODEW-UHFFFAOYSA-N/CHMO0001146
Version
Author	Janine Haug
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-09-16
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
66837797	PubChem
SCHEMBL904506	SureChEMBL
The data in this table is sourced from UniChem at EBI.