heteronuclear single quantum coherence (HSQC)

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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,...

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Dataset

heteronuclear single quantum coherence (HSQC)

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

Chemical Info

InChI	InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H
SMILES	Fc1ccc(cc1)S(=O)(=O)Cl
InChI Key	BFXHJFKKRGVUMU-UHFFFAOYSA-N
Exact Mass	194.611 g/mol

Data and Resources

heteronuclear single quantum coherence (HSQC)HTML
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Metadata Information

Field	Value
DOI	10.14272/BFXHJFKKRGVUMU-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/BFXHJFKKRGVUMU-UHFFFAOYSA-N/CHMO0000604
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:22:51.131668
MetadataModified	2024-09-23T09:25:54.531966
MetadataPublished	2024-08-07
Related Molecule

Data-Source Molecule ID	Data-Source
20208251	NMRShiftDB
511688	eMolecules
14748597	PubChem: Thomson Pharma
SCHEMBL17242	SureChEMBL
349-88-2	ACToR
J33G	Nikkaji
ZINC000095736303	ZINC
DTXSID3059846	EPA CompTox Dashboard
CB2233466	ChemicalBook
9588	PubChem
MCULE-9745785848	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-3756 date : 20240719 starting time : 17.09 h instrument : spect label : SGV-3453 id : 119456 Solvent : chloroform-D1 (CDCl3)