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/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
SMILES	O=Cc1ccc(c(c1)F)F
InChI Key	JPHKMYXKNKLNDF-UHFFFAOYSA-N
Molecular Formula	C7H4F2O
Exact Mass	142.103 g/mol

Data and Resources

heteronuclear single quantum coherence (HSQC)HTML
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Metadata Information

Field	Value
DOI	10.14272/JPHKMYXKNKLNDF-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/JPHKMYXKNKLNDF-UHFFFAOYSA-N/CHMO0000604
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-03-02T03:10:17.455577
MetadataModified	2025-03-02T03:10:17.455584
MetadataPublished	2025-02-28
Related Molecule

Data-Source Molecule ID	Data-Source
CB9275911	ChemicalBook
17581	Brenda
34036-07-2	ACToR
16080920	PubChem: Thomson Pharma
493223	eMolecules
J713.117H	Nikkaji
DTXSID00343186	EPA CompTox Dashboard
ZINC000000164803	ZINC
20040418	NMRShiftDB
SCHEMBL48607	SureChEMBL
MCULE-1644776479	Mcule
588088	PubChem
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 : CCP-3826 date : 20250214 starting time : 14.45 h instrument : spect label : CCP-3670 id : 344563 Solvent : chloroform-D1 (CDCl3)