heteronuclear single quantum coherence (HSQC)

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Dataset

heteronuclear single quantum coherence (HSQC)

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

Chemical Info

InChI	InChI=1S/C5H3FIN/c6-5-4(7)2-1-3-8-5/h1-3H
SMILES	Ic1cccnc1F
InChI Key	WCDCAXVNBOLWNO-UHFFFAOYSA-N
Exact Mass	222.987 g/mol

Data and Resources

heteronuclear single quantum coherence (HSQC)HTML
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Metadata Information

Field	Value
DOI	10.14272/WCDCAXVNBOLWNO-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/WCDCAXVNBOLWNO-UHFFFAOYSA-N/CHMO0000604
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:31:19.570936
MetadataModified	2024-09-23T09:26:24.214608
MetadataPublished	2024-08-19
Related Molecule

Data-Source Molecule ID	Data-Source
15900399	PubChem: Thomson Pharma
7009501	PubChem
SCHEMBL320677	SureChEMBL
113975-22-7	ACToR
728265	eMolecules
ZINC000002384102	ZINC
CB5228823	ChemicalBook
DTXSID60426560	EPA CompTox Dashboard
J1.653.222C	Nikkaji
MCULE-1288525202	Mcule
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 : SG-CCP-3764 date : 20240817 starting time : 19.22 h instrument : spect label : CCP-3583 id : 321769 Solvent : chloroform-D1 (CDCl3)