heteronuclear single quantum coherence (HSQC)

Repository

Chemotion - Repository

The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR,...

License

No License Provided

Export

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

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

Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)\n\n

Chemical Info

InChI	InChI=1S/C5H5N.ClH/c1-2-4-6-5-3-1;/h1-5H;1H
SMILES	c1cccnc1.Cl
InChI Key	AOJFQRQNPXYVLM-UHFFFAOYSA-N
Exact Mass	115.561 g/mol

Data and Resources

heteronuclear single quantum coherence (HSQC)HTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI	10.14272/AOJFQRQNPXYVLM-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/AOJFQRQNPXYVLM-UHFFFAOYSA-N/CHMO0000604
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:33:29.393371
MetadataModified	2024-09-23T09:26:41.084304
MetadataPublished	2024-08-26
Related Molecule

Data-Source Molecule ID	Data-Source
10176127	PubChem
12777679	PubChem
628-13-7	ACToR
22666620	PubChem
1U87419851	FDA SRS
69401	PubChem
15170555	PubChem: Thomson Pharma
15170554	PubChem: Thomson Pharma
SCHEMBL23609	SureChEMBL
491173	eMolecules
DTXSID6027262	EPA CompTox Dashboard
CB0725473	ChemicalBook
The data in this table is sourced from UniChem at EBI.

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	temperature : 300.1 K PULPROG : hsqcedetgp number of scans : 2 scans title : FAS-Pyridin-UCl date : 20240815 starting time : 10.23 h instrument : spect label : CCP-3580 id : 321691 Solvent : chloroform-D1 (CDCl3)