Dataset

correlation spectroscopy (COSY)

Chemical Info

InChI	InChI=1S/C8H6ClFO3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,11H,(H,12,13)
SMILES	OC(=O)C(c1ccc(cc1F)Cl)O
InChI Key	HBKBYSVGPUCTEK-UHFFFAOYSA-N
Molecular Formula	C8H6ClFO3
Exact Mass	204.583 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HBKBYSVGPUCTEK-UHFFFAOYSA-N/CHMO0000599
License URL
Source	https://www.chemotion-repository.net/inchikey/HBKBYSVGPUCTEK-UHFFFAOYSA-N/CHMO0000599
Version
Author	Elena Foitzik
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:03:56.008603
MetadataModified	2025-01-29T15:57:46.868088
MetadataPublished	2024-10-08
Related Molecule

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	temperature : 300.0 K PULPROG : cosygpppqf number of scans : 1 scans title : X25297-DMSO date : 20241003 starting time : 7.54 h instrument : spect label : EF-1163 id : 327583 Solvent : DMSO

Data-Source Molecule ID	Data-Source
79021855	PubChem
The data in this table is sourced from UniChem at EBI.